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  • 1995-1999  (2,433)
  • 1955-1959  (4)
  • 1890-1899
  • Engineering General  (1,423)
  • Computational Chemistry and Molecular Modeling  (973)
  • genetic engineering
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  • 1
    Electronic Resource
    Electronic Resource
    Keeping Up with the Cloneses -- Issues in Human Cloning (1999)
    Springer
    The journal of ethics 3 (1999), S. 51-71 
    Details
    ISSN: 1572-8609
    Keywords: biotechnology ; cloning ; ethics of biotechnology ; ethics of cloning ; ethics of human cloning ; ethics for reproductive technology ; genetic engineering ; human cloning ; religious ethics ; reproductive technology ; secular ethics ; social ethics
    Source: Springer Online Journal Archives 1860-2000
    Topics: Philosophy
    Notes: Abstract The advent of cloning animals has created a maelstrom of social concern about the “ethical issues” associated with the possibility of cloning humans. When the “ethical concerns” are clearly examined, however, many of them turn out to be less matters of rational ethics than knee-jerk emotion, religious bias, or fear of that which is not understood. Three categories of real and spurious ethical concerns are presented and discussed: 1) that cloning is intrinsically wrong, 2) that cloning must lead to bad consequences, and 3) that cloning harms the organism generated. The need for a rational ethical framework for discussing biotechnological advances is presented and defended.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009775715165
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  • 2
    Electronic Resource
    Electronic Resource
    Genetic engineering of shikonin biosynthesis hairy root cultures of Lithospermum erythrorhizon transformed with the bacterial ubiC gene (1999)
    Springer
    Plant molecular biology 39 (1999), S. 683-693 
    Details
    ISSN: 1573-5028
    Keywords: genetic engineering ; 4-hydroxybenzoic acid glucoside ; Lithospermum erythrorhizon ; menisdaurin ; shikonin ; ubiC
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract The biosynthetic pathway to 4-hydroxybenzoate (4HB), a precursor of the naphthoquinone pigment shikonin, was modified in Lithospermum erythrorhizon hairy root cultures by introduction of the bacterial gene ubiC. This gene of Escherichia coli encodes chorismate pyruvate-lyase (CPL), an enzyme that converts chorismate into 4HB and is not normally present in plants. The ubiC gene was fused to the sequence for a chloroplast transit peptide and placed under control of a constitutive plant promoter. This construct was introduced into L. erythrorhizon by Agrobacterium rhizogenes-mediated transformation. The resulting hairy root cultures showed high CPL activity. 4HB produced by the CPL reaction was utilized for shikonin biosynthesis, as shown by in vivo inhibition of the native pathway to 4HB with 2-aminoindan-2-phosphonic acid (AIP), an inhibitor of phenylalanine ammonia-lyase. A feeding experiment with [1,7-13C2]shikimate showed that in the absence of AIP the artificially introduced CPL reaction contributed ca. 20% of the overall 4HB biosynthesis in the transgenic cultures. ubiC transformation did not lead to a statistically significant increase of shikonin formation, but to a 5-fold increase of the accumulation of menisdaurin, a nitrile glucoside which is presumably related to aromatic amino acid metabolism.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1006185806390
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  • 3
    Electronic Resource
    Electronic Resource
    Questions about the complexity of chloroplast ribulose-1,5-bisphosphate carboxylase/oxygenase (1999)
    Springer
    Photosynthesis research 60 (1999), S. 29-42 
    Details
    ISSN: 1573-5079
    Keywords: enzyme catalysis ; evolution ; genetic engineering ; photosynthesis ; protein assembly ; protein degradation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract Ribulose-1,5-bisphosphate carboxylase/oxygenase (Rubisco; EC 4.1.1.39) has played a central role in our understanding of chloroplast biogenesis and photosynthesis. In particular, its catalysis of the rate-limiting step of CO2 fixation, and the mutual competition of CO2 and O2 at the active site, makes Rubisco a prime focus for genetically engineering an increase in photosynthetic productivity. Although it remains difficult to manipulate the chloroplast-encoded large subunit and nuclear-encoded small subunit of crop plants, much has been learned about the structure/function relationships of Rubisco by expressing prokaryotic genes in Escherichia coli or by exploiting classical genetics and chloroplast transformation of the green alga Chlamydomonas reinhardtii. However, the complexity of chloroplast Rubisco in land plants cannot be completely addressed with the existing model organisms. Two subunits encoded in different genetic compartments have coevolved in the formation of the Rubisco holoenzyme, but the function of the small subunit remains largely unknown. The subunits are posttranslationally modified, assembled via a complex process, and degraded in regulated ways. There is also a second chloroplast protein, Rubisco activase, that is responsible for removing inhibitory molecules from the large-subunit active site. Many of these complex interactions and processes display species specificity. This means that attempts to engineer or discover a better Rubisco may be futile if one cannot transfer the better enzyme to a compatible host. We must frame the questions that address this problem of chloroplast-Rubisco complexity. We must work harder to find the answers.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1006240202051
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  • 4
    Electronic Resource
    Electronic Resource
    Wounding by bombardment yields highly efficient Agrobacterium-mediated transformation of carnation (Dianthus caryophyllus L.) (1999)
    Springer
    Molecular breeding 5 (1999), S. 367-375 
    Details
    ISSN: 1572-9788
    Keywords: transgenic carnation ; genetic engineering ; microprojectile bombardment ; stable transformation ; kanamycin selection
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Abstract Highly efficient Agrobacterium-mediated transformation of carnation (Dianthus caryophyllus L.) was obtained by first wounding stem explants via microprojectile bombardment. When this was followed by cocultivation with disarmed Agrobacterium in the dark, the transformation frequency-based on transient GUS expression-increased to over 10-fold that of explants wounded by other means and cocultivated under constant light. Two cycles of regeneration/selection on kanamycin were employed to generate stably transformed carnation plants and eliminate chimeras: first, plantlets were regenerated from inoculated stem explants and then leaves from these plantlets were used to generate transgenes in a second selection cycle of adventitious shoot regeneration. Agrobacterium strain AGLO, carrying the binary vector pCGN7001 containing uidA and nptII genes, was used in the stable transformation experiments. The combination of wounding via bombardment, cocultivation in the dark and two cycles of kanamycin selection yielded an overall transformation efficiency of 1–2 transgenes per 10 stem explants for the three carnation varieties analyzed. Histochemical and molecular analyses of marker genes in T0 and T1 generations confirmed the transgenic nature of the selected plants.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009671131200
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  • 5
    Electronic Resource
    Electronic Resource
    Genetic Engineering of Protein-Based Polymers: Potential in Controlled Drug Delivery (1998)
    Springer
    Pharmaceutical research 15 (1998), S. 813-815 
    Details
    ISSN: 1573-904X
    Keywords: genetic engineering ; polymers ; drug delivery
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1011999810298
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  • 6
    Electronic Resource
    Electronic Resource
    Review: Application of biotechnology to forestry – molecular biology of conifers (1998)
    Springer
    World journal of microbiology and biotechnology 14 (1998), S. 321-330 
    Details
    ISSN: 1573-0972
    Keywords: Conifer transformation ; forestry ; genetic engineering ; plantation forestry ; tree improvement
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Abstract Genetic improvement in plantation forestry relies significantly on conventional breeding techniques which have been used extensively to improve various characteristics in forest trees such as growth and form, volume yield, resistance to pathogens and quality of the end product. This review concentrates on molecular techniques which have been used successfully in agriculture and which have more recently become available to improve further characteristics of forest trees and introduce new traits which are currently not available in the breeding population.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1008848824626
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  • 7
    Electronic Resource
    Electronic Resource
    Crystal structures and properties of de novo circularly permuted 1,3-1,4-β-glucanases (1998)
    New York, NY : Wiley-Blackwell
    Proteins: Structure, Function, and Genetics 30 (1998), S. 155-167 
    Details
    ISSN: 0887-3585
    Keywords: X-ray diffraction ; protein folding ; genetic engineering ; circular permutation ; 1,3-1,4-β-glucanase ; Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Medicine
    Notes: The 1,3-1,4-β-glucanases from Bacillus macerans and Bacillus licheniformis, as well as related hybrid enzymes, are stable proteins comprised of one compact jellyroll domain. Their structures are studied in an effort to reveal the degree of redundancy to which the three-dimensional structure of protein domains is encoded by the amino acid sequence. For the hybrid 1,3-1,4-β-glucanase H(A16-M), it could be shown recently that a circular permutation of the sequence giving rise to the variant cpA16M-59 is compatible with wildtype-like enzymatic activity and tertiary structure (Hahn et al., Proc. Natl. Acad. Sci. USA 91:10417-10421, 1994). Since the circular permutation yielding cpA16M-59 mimicks that found in the homologous enzyme from Fibrobacter succinogenes, the question arose whether de novo circular permutations, not guided by molecular evolution of the 1,3-1,4-β-glucanases, could also produce proteins with native-like fold. The circularly permuted variants cpA16M-84, cpA16M-127, and cpA16M-154 were generated by PCR mutagenesis of the gene encoding H(A16-M), synthesized in Escherichia coli and shown to be active in β-glucan hydrolysis. CpA16M-84 and cpA16M-127 were crystallized in space groups P21 and P1, respectively, and their crystal structures were determined at 1.80 and 2.07 Å resolution. In both proteins the main parts of the β-sheet structure remain unaffected by the circular permutation as is evident from a root-mean-square deviation of main chain atoms from the reference structure within the experimental error. The only major structural perturbation occurs near the novel chain termini in a surface loop of cpA16M-84, which becomes destabilized and rearranged. The results of this study are interpreted to show that: (1) several circular permutations in the compact jellyroll domain of the 1,3-1,4-β-glucanases are tolerated without radical change of enzymatic activity or tertiary structure, (2) the three-dimensional structures of simple domains are encoded by the amino acid sequence with sufficient redundancy to tolerate a change in the sequential order of secondary structure elements along the sequence, and (3) the native N-terminal region is not needed to guide the folding polypeptide chain toward its native conformation. Proteins 30:155-167, 1998. © 1998 Wiley-Liss, Inc.
    Additional Material: 6 Ill.
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  • 8
    Electronic Resource
    Electronic Resource
    Genetic engineering approaches to enzyme design and mechanism (1998)
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 11 (1998), S. 536-539 
    Details
    ISSN: 0894-3230
    Keywords: enzyme design ; enzyme mechanism ; genetic engineering ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Aspartate aminotransferase (AATase) and aminocyclopropane carboxylate synthase (ACC synthase) are pyridoxal phosphate (PLP)-dependent enzymes whose common junction of mechanistic divergence is after the formation of a Cα carbanion from the amino acid substrate bound to PLP as a Schiff base (aldimine). AATase catalyzes the reversible interconversion of α-amino acids and α-keto acids, while ACC synthase effects the irreversible decomposition of S-adenosylmethionine (SAM) to 1-aminocyclopropane-1-carboxylate (ACC) and 5′-methylthioadenosine (MTA). ACC is subsequently converted to ethylene, the plant ripening and senescence hormone, by ACC oxidase, the next enzyme in the pathway. AATase and ACC synthase exhibit many similar phenomenological characteristics that result from different detailed mechanistic origins. The kcat/KM versus pH profiles for both enzymes are similar (AATase, acidic pKa = 6.9, basic pKa = 9.6; ACC synthase, acidic pKa = 7.5, basic pKa = 8.9); however the acidic pKa of AATase reflects the ionization of an enzyme proton from the internal Schiff base, and the basic one is that of the α-amino group of the substrate, while the opposite situation obtains for ACC synthase, i.e. the apparent pKa of 7.4 is due to the α-amino group of SAM, whereas that of 9 reflects the Schiff base pKa. The mechanistic imperative underlying this reversal is dictated by the reaction mechanism and the low pKa of the α-amino group of SAM. The low pKa of SAM requires that the enzyme pKa be moved upward in order to have sufficient quantities of the reacting species at neutral pH. It is shown by viscosity variation experiments with wild-type and active site mutant controls of both enzymes that the reaction of SAM with ACC synthase is 100% diffusion controlled (kcat/KM = 1.2 × 106 l mol-1 s-1) while the corresponding reaction for the combination of L-aspartate with AATase is insensitive to viscosity, and is therefore chemically not diffusion limited. Tyr225 (AATase) or Tyr233 (ACC synthase) forms a hydrogen bond with the PLP in both enzymes, but that formed with the former enzyme is stronger and accounts for the lower pKa of the Schiff base. © 1998 John Wiley & Sons, Ltd.
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  • 9
    Electronic Resource
    Electronic Resource
    Stable Production of Human Insulin-like Growth Factor 1 (IGF-1) in the Milk of Hemi- and Homozygous Transgenic Rabbits Over Several Generations (1998)
    Springer
    Transgenic research 7 (1998), S. 437-447 
    Details
    ISSN: 1573-9368
    Keywords: bioreactor ; gene farming ; genetic engineering ; mammary gland ; milk composition ; recombinant protein
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract One transgenic rabbit line was generated carrying a fusion gene consisting of the cDNA for human IGF-1 fused to a mammary gland specific expression cassette derived from bovine alpha-S1-casein sequences. Transgene expression was shown to be strictly tissue and lactation period specific. The transgenic rabbit line was bred for six generations. All transgenic animals showed stable production of biologically active IGF-1 over the generations and no apparent effect on the physiological or reproductive performance was observed. The absence of adverse effects on homozygous transgenic rabbits suggested the absence of insertional mutagenesis. Eight hemizygous transgenic offspring analysed produced on average 363 ± 12μg/ml (ranging from 223 ± 61 to 484 ± 39 μg/ml) mature human IGF-1 in their milk, whereas three homozygous animals produced on average 543 ± 41 μg/ml (ranging from 360 ± 15 to 678 ± 80 μg/ml). Homozygous huIGF-1 females clearly showed a significantly increased production performance of the recombinant protein.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1008831028620
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  • 10
    Electronic Resource
    Electronic Resource
    Metabolic engineering of rice leading to biosynthesis of glycinebetaine and tolerance to salt and cold (1998)
    Springer
    Plant molecular biology 38 (1998), S. 1011-1019 
    Details
    ISSN: 1573-5028
    Keywords: choline oxidase ; genetic engineering ; glycinebetaine ; low-temperature tolerance ; salt tolerance ; transgenic rice
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract Genetically engineered rice (Oryza sativa L.) with the ability to synthesize glycinebetaine was established by introducing the codA gene for choline oxidase from the soil bacterium Arthrobacter globiformis. Levels of glycinebetaine were as high as 1 and 5 μmol per gram fresh weight of leaves in two types of transgenic plant in which choline oxidase was targeted to the chloroplasts (ChlCOD plants) and to the cytosol (CytCOD plants), respectively. Although treatment with 0.15 m NaCl inhibited the growth of both wild-type and transgenic plants, the transgenic plants began to grow again at the normal rate after a significantly less time than the wild-type plants after elimination of the salt stress. Inactivation of photosynthesis, used as a measure of cellular damage, indicated that ChlCOD plants were more tolerant than CytCOD plants to photoinhibition under salt stress and low-temperature stress. These results indicated that the subcellular compartmentalization of the biosynthesis of glycinebetaine was a critical element in the efficient enhancement of tolerance to stress in the engineered plants.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1006095015717
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  • 11
    Electronic Resource
    Electronic Resource
    Expression of a chitinase transgene in rose (Rosa hybrida L.) reduces development of blackspot disease (Diplocarpon rosae Wolf) (1998)
    Springer
    Molecular breeding 4 (1998), S. 187-194 
    Details
    ISSN: 1572-9788
    Keywords: chitinase ; Diplocarpon rosae ; disease resistance ; genetic engineering ; Rosa hybrida L.
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Abstract Blackspot, caused by the Ascomycete fungus Diplocarpon rosae, is the most widespread and pernicious disease of cultivated roses. While some species of rose possess resistance to D. rosae, none of the modern-day rose cultivars are fully resistant to the pathogen. In the current study, Biolistic gene delivery was used to introduce a rice gene, encoding a basic (Class I), chitinase into embryogenic callus of the blackspot-susceptible rose (Rosa hybrida L.) cv. Glad Tidings. The plasmid used for transformation carried the neomycin phosphotransferase (nptII) gene facilitating the selection and regeneration of transgenic plants on medium containing 250 mg/l kanamycin. Southern analysis confirmed integration of 2–6 copies of the chitinase gene into the rose genome; gene expression was confirmed by enzyme assay. Bioassays demonstrated that expression of the chitinase transgene reduced the severity of blackspot development by 13–43%. This degree of resistance to the pathogen correlated with the level of chitinase expression in the transgenic rose plants. The introduction of disease defence genes into rose provides a method of producing blackspot-resistant rose cultivars sought by breeders and growers.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009642707505
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  • 12
    Electronic Resource
    Electronic Resource
    How will bioinformatics influence metabolic engineering? (1998)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 58 (1998), S. 162-169 
    Details
    ISSN: 0006-3592
    Keywords: bioinformatics ; metabolic engineering ; genetic engineering ; mathematical analysis ; stoichiometry ; enzyme kinetics ; modal analysis ; genetic circuits ; Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Ten microbial genomes have been fully sequenced to date, and the sequencing of many more genomes is expected to be completed before the end of the century. The assignment of function to open reading frames (ORFs) is progressing, and for some genomes over 70% of functional assignments have been made. The majority of the assigned ORFs relate to metabolic functions. Thus, the complete genetic and biochemical functions of a number of microbial cells may be soon available. From a metabolic engineering standpoint, these developments open a new realm of possibilities. Metabolic analysis and engineering strategies can now be built on a sound genomic basis. An important question that now arises; how should these tasks be approached? Flux-balance analysis (FBA) has the potential to play an important role. It is based on the fundamental principle of mass conservation. It requires only the stoichiometric matrix, the metabolic demands, and some strain specific parameters. Importantly, no enzymatic kinetic data is required. In this article, we show how the genomically defined microbial metabolic genotypes can be analyzed by FBA. Fundamental concepts of metabolic genotype, metabolic phenotype, metabolic redundancy and robustness are defined and examples of their use given. We discuss the advantage of this approach, and how FBA is expected to find uses in the near future. FBA is likely to become an important analysis tool for genomically based approaches to metabolic engineering, strain design, and development. © 1998 John Wiley & Sons, Inc. Biotechnol Bioeng 58:162-169, 1998.
    Additional Material: 4 Ill.
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  • 13
    Electronic Resource
    Electronic Resource
    Genetic engineering of Serratia marcescens with bacterial hemoglobin gene: Effects on growth, oxygen utilization, and cell size (1998)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 57 (1998), S. 477-483 
    Details
    ISSN: 0006-3592
    Keywords: Vitreoscilla hemoglobin ; bacterial hemoglobin ; Serratia marcescens ; genetic engineering ; Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The bacterial hemoglobin from Vitreoscilla has been shown to increase growth yield and yield of genetically engineered product in Escherichia coli. To test the generality of this phenomenon, the approximately 560-bp bacterial (Vitreoscilla) hemoglobin gene (vgb) (including the native promoter), cloned into the vector pUC8 in two constructs containing about 1650 and 850 bp, respectively, of Vitreoscilla DNA downstream of vgb, was transformed into Serratia marcescens. After several transfers of the transformants on selective media, both plasmids became stable in this host and the resulting strains produced hemoglobin. Both transformants were compared, regarding growth in liquid Luria-Bertani (LB) medium, with untransformed S. marcescens and S. marcescens transformed with pUC8. The vgb-bearing strains had about 5 times lower maximum viable cell numbers than the strains without hemoglobin, but the former also had late log or early stationary phase cells that were 5-10 times larger than those of the latter. Further, on a dry cell mass basis the presence of vgb inhibited cell growth in liquid media. In contrast, growth of the vgb-bearing strains on LB plates based on cell mass (determined from colony size) was markedly enhanced compared with that of the pUC8 transformant. Respiration of the vgb-bearing strains was lower than that of the strains without vgb on a cell mass basis. These results show that the presence of vgb can have idiosyncratic effects and is not always an aid to cell growth so that its use for genetic engineering must be tested on a case by case basis. ©1998 John Wiley & Sons, Inc. Biotechnol Bioeng 57: 477-483, 1998.
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  • 14
    Electronic Resource
    Electronic Resource
    Genetically engineered syntheses of tandem repetitive polypeptides consisting of glycine-rich sequence of spider dragline silk (1998)
    New York : Wiley-Blackwell
    Biopolymers 45 (1998), S. 269-279 
    Details
    ISSN: 0006-3525
    Keywords: spider dragline silk ; genetic engineering ; glycine-rich sequence ; β-sheet structure ; Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We described genetically engineered syntheses of tandem repetitive polypeptides consisting of glycine-rich sequence, GlyLeuGlyGlyGlnGlyGlyGlyAlaGlyGlnGlyGlyTyrGly, designated SCAP(1), in spidroin I of spider dragline silk from Nephila clavipes and the secondary conformational analyses in the solid state by Fourier transform ir measurements. The polypeptides composed of 4, 5, 6, 7, 11, 12, or 13 repeats of SCAP(1) were expressed in Escherichia coli, purified by nickel chelate affinity chromatography, and then cleaved with cyanogen bromide to release N- and C-terminal extensions. Typical yields were from 1.2 to 5.2 mg of lyophilized uncleaved polypeptides per liter of fermentation medium at an absorbance of 2.0 at 600 nm, and the production levels increased with decreasing the molecular weight of the expressed polypeptides. The lyophilized powder of cleaved SCAP(13) adopted the random coil, whereas the cast film from formic acid formed the β-sheet structure. The conformational results might indicate that the glycine-rich sequence formed β-sheet structure in spidroin I. Cleaved SCAP(13) started to decompose under nitrogen at ca. 230°C, which was in agreement with the decomposition temperature of the spider dragline silk from N. clavipes. © 1998 John Wiley & Sons, Inc. Biopoly 45: 269-279, 1998
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  • 15
    Electronic Resource
    Electronic Resource
    Engineered cell lines for insulin replacement in diabetes: current status and future prospects (1997)
    Springer
    Diabetologia 40 (1997), S. S42 
    Details
    ISSN: 1432-0428
    Keywords: Keywords Insulin ; genetic engineering ; cell lines ; transplantation ; molecular biology.
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The recently completed diabetes complications and control trial has highlighted the need for improvement of insulin delivery systems for treatment of insulin-dependent diabetes mellitus. Despite steady improvement in methods for islet and whole pancreas transplantation over the past three decades, the broad-scale applicability of these approaches remains uncertain due in part to the difficulty and expense associated with procurement of functional tissue. To address this concern, we and others have been using the tools of molecular biology to develop cell lines with regulated insulin secretion that might serve as a surrogate for primary islets or pancreas tissue in transplantation therapy. This article seeks to provide a brief summary of the current status of this growing field, with a particular emphasis on progress in producing cell lines with appropriate glucose-stimulated insulin secretion. [Diabetologia (1997) 40: S 42–S 47]
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s001250051398
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  • 16
    Electronic Resource
    Electronic Resource
    Genetic engineering of bacteria and their potential for Hg2+ bioremediation (1997)
    Springer
    Biodegradation 8 (1997), S. 97-103 
    Details
    ISSN: 1572-9729
    Keywords: Escherichia coli ; genetic engineering ; mercury bioaccumulation ; mercury transport
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Energy, Environment Protection, Nuclear Power Engineering , Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Abstract Ion exchange or biosorptive processes for metalremoval generally lack specificity in metal bindingand are sensitive to ambient conditions, e.g. pH,ionic strength and the presence of metal chelators. Inthis study, cells of a genetically engineered Escherichia coli strain, JM109, which expressesmetallothionein and a Hg2+ transport system afterinduction were evaluated for their selectivity forHg2+ accumulation in the presence of sodium,magnesium, or cadmium ions and their sensitivity to pHor the presence of metal chelators during Hg2+bioaccumulation. The genetically engineered E.coli cells in suspension accumulated Hg2+effectively at low concentrations (0-20 µM) overa broad range of pH (3 to 11). The presence of 400 mMsodium chloride, 200 mM magnesium chloride, or100 µM cadmium ions did not have a significanteffect on the bioaccumulation of 5 µm Hg2+,indicating that this process is not sensitive to highionic strength and is highly selective against sodium,magnesium, or cadmium ions. Metal chelators usuallyinterfere with ion exchange or biosorptive processes.However, two common metal chelators, EDTA and citrate,had no significant effect on Hg2+ bioaccumulationby the genetically engineered strain. These resultssuggest that this E. coli strain could be usedfor selective removal of Hg2+ from waste water orfrom contaminated solutions which are resistant tocommon treatments. A second potential applicationwould be to remove Hg2+ from Hg2+-contaminated soil, sediment, or particulates bywashing them with a Hg2+ chelator andregenerating the chelator by passing the solutionthrough a reactor containing the strain.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1008233704719
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  • 17
    Electronic Resource
    Electronic Resource
    Nif gene transfer and expression in chloroplasts: Prospects and problems (1997)
    Springer
    Plant and soil 194 (1997), S. 193-203 
    Details
    ISSN: 1573-5036
    Keywords: chloroplast ; genetic engineering ; nif genes ; nitrogenase ; plant transformation ; plastid
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Abstract The engineering of plants capable of fixing their own nitrogen is an extremely complex task, requiring the co-ordinated and regulated expression of 16 nif genes in an appropriate cellular location. We suggest that plastids may provide a favourable environment for nif gene expression provided that the nitrogenase enzyme can be protected from oxygen damage. Using the non-heterocystous cyanobacteria as a model, we argue that photosynthesis could be temporally separated from nitrogen fixation in chloroplasts by restricting nitrogenase synthesis to the dark period. We report preliminary data on the introduction and expression of one of nitrogenase components, the Fe protein, in transgenic tobacco and Chlamydomonas reinhardtii. Finally we discuss potential avenues for further research in this area and the prospects for achieving the ultimate goal of expressing active nitrogenase in cereal crops such as rice.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1004296703638
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  • 18
    Electronic Resource
    Electronic Resource
    Plant nutrition in the 20th and perspectives for the 21st century (1997)
    Springer
    Plant and soil 196 (1997), S. 163-174 
    Details
    ISSN: 1573-5036
    Keywords: fertilizers ; food production ; genetic engineering ; macronutrients ; micronutrients ; nutrient absorption
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Abstract This paper briefly presents the knowledge of plant nutrition in 1900 and its expansion since then in two areas - the discovery of the micronutrients and the absorption of nutrients from soils. Application of macro- and micronutrient fertilizers has contributed substantially to the huge increase in world food production experienced this century. In developed countries, excessive fertilizer use has led to serious problems of nutrient pollution; here, plant nutritionists will be concerned with monitoring nutrient status of crops and soils to maintain crop production with minimum loss of nutrients to the environment, and development of cultivars with high nutrient efficiency in soils with luxury supplies of nutrients. In many developing countries, soil infertility limits productivity; here, plant nutritional research can raise productivity by diagnosis of nutrient deficiencies and toxicities of crops on previously unfertilized soils, their correction with minimal fertilizer and treatment costs, and development of cultivars with high nutrient efficiency in deficient soils and high tolerance of natural toxicities. The pre-occupation of developed countries with pollution is blinding them to the urgent needs of developing countries for fertilizers and fertilizer research to increase crop production ha-1 as an alternative to clearing more land.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1004208621263
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    Electronic Resource
    Electronic Resource
    Mitochondria transfer into mouse ova by microinjection (1997)
    Springer
    Transgenic research 6 (1997), S. 379-383 
    Details
    ISSN: 1573-9368
    Keywords: genetic engineering ; heteroplasmy ; mouse ; mitochondria ; mitochondria transfer
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract A method for mitochondria isolation and interspecific transfer of mitochondria was developed in mice. Mitochondria were isolated from Mus spretus liver samples for microinjection into fertilized ova obtained from superovulated M. musculus domesticus females. Electron microscopic observations of mitochondria preparations used for microinjection demonstrated intact mitochondrial vesicles with little microsomal contamination. Species-specific nested PCR primers complementary to sequence differences in the mitochondrial DNA D-loop region revealed high rates of successful transfer of foreign mitochondria after isolation and injection into zygotes cultured through the blastocyst stage of embryonic development. Of 217 zygotes, 67 survived mitochondria injection and 23 out of 37 zygotes developed were at the blastocyst-stage of embryonic development after 4.5 days of in vitro culture. All 23 of these blastocysts contained detectable levels of foreign mitochondria. These results represent an initial step in developing a model system to study mitochondrial dynamics and development of therapeutic strategies for human metabolic diseases affected by aberrations in mitochondrial function or mutation
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1018431316831
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    Electronic Resource
    Electronic Resource
    Rice transformation: bombardment (1997)
    Springer
    Plant molecular biology 35 (1997), S. 197-203 
    Details
    ISSN: 1573-5028
    Keywords: genetic engineering ; particle bombardment ; plant biotechnology ; transgenic rice ; Oryza sativa
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract Bombardment-based methodology is responsible for the effective genetic manipulation of major cereals including rice. Many groups reported significant advances on various aspects of rice molecular biology and genetic engineering using procedures based on bombardment technology. Molecular and genetic characterization of large numbers of these plants (more than 500 independent transgenic plants) provided information on structure, expression and stability of integrated DNA through multiple generations. Such evaluations were carried out in the greenhouse and in the field. Stability of expression was found to be dependent on the nature of the promoter and the transgene, and in specific cases on gene copy number. Direct DNA transfer utilizing particle bombardment for the delivery of foreign DNA into rice tissue results in the recovery of large numbers of independently derived transgenic plants in a variety-independent fashion. Gene copy number, level and stability of expression of transgenes can be compared to other DNA delivery methods, direct or indirect, including Agrobacterium-mediated gene transfer. In this paper, the technology is summarized and discussed in terms of present and future applications, including field trials and potential commercialization of transgenic rice expressing a number of genes of agronomic interest such as pest and herbicide resistance.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1005791230345
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    Electronic Resource
    Is there any possibility of detecting the use of genetic engineering in processed foods? (1997)
    Springer
    European journal of nutrition 36 (1997), S. 155-160 
    Details
    ISSN: 1436-6215
    Keywords: Detection method ; genetic engineering ; polymerase chain reaction ; processed food ; Gentechnik ; Nachweisverfahren ; Polymerasekettenreaktion ; verarbeitete Lebensmittel
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition , Medicine
    Description / Table of Contents: Zusammenfassung Bier, Sojaöl, verarbeitete Tomaten- (Ketchup, Mark, Pizzatomaten, Schältomaten, Suppe) und Kartoffelprodukte (Pommes frites, Chips, Püree, Mehl, Stärke, Bratkartoffeln) sowie ein Enzympräparat (Natuphos) wurden mittels PCR daraufhin untersucht, ob ein Nachweis des Einsatzes der Gentechnik bei ihrer Herstellung möglich ist. PCR-fähige DNA ließ sich aus Pizzatomaten, Schältomaten, Pommes frites, Bratkartoffeln, Kartoffelmehl und Kartoffelchips isolieren, so daß der Nachweis des Einsatzes der Gentechnik bei deren Herstellung möglich wird. Bestimmte Biere (Pils, Export, Nutfield lyte), Sojaöl, Tomatensuppe, Kartoffelstärke, Kartoffelpüree und Natuphos entziehen sich einem solchen Nachweis, da die PCR-Analyse keine Hinweise auf das Vorliegen von DNA in diesen Produkten ergab. Daß das durchgeführte Nachweisverfahren grundsätzlich in der Lage ist, geringe Mengen an DNA auch in diesen Produkten spezifisch nachzuweisen, wurde nach Zugabe vonEscherichia coli DNA bestätigt.
    Notes: Summary To elucidate if there is any possibility to identify highly processed foods as produced through genetic engineering, beer, soya bean oil, processed tomato (ketch-up, paste, pizza tomatoes, peeled tomatoes, soup) and potato (french fries, crisps, mashed potatoes, flour, starch, fried potatoes) products as well as an enzyme preparation (Natuphos) were investigated by PCR. In pizza tomatoes, peeled tomatoes, french fries, fried potatoes, potato flour and potato crisps DNA suitable for PCR was found. Therefore, it is possible to identify these products as produced through genetic engineering. Such an identification is impossible in certain beers (pilsener, export, Nutfield lyte), soya bean oil, tomato soup, potato starch, mashed potatoes and Natuphos since PCR-analysis gave no indication of the presence of DNA in these products. As it was shown by addingEscherichia coli DNA the used method is, in principle, capable of detecting specifically small amounts of DNA in such products.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01611394
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    Electronic Resource
    Electronic Resource
    On the dynamics of a linear and a nonlinear quantum oscillator with randomly changing harmonic frequency (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 62 (1997), S. 265-272 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Numerical experiments with a nonlinear (λχ4) oscillator which has its harmonic frequency changing randomly with time reveal certain interesting features of its dynamics of quantum evolution. When λ = 0, the level populations are seen to oscillate. But, as the nonlinear coupling is switched on (λ 〉 0), a threshold is reached at λ = λc when the evolution is seen to be characterized by an abrupt transition dominantly to the highest available state of the unperturbed (initial) oscillator. It is shown that this transition probability is maximized at a particular value of λ. The time threshold for this transition decreases with increasing nonlinear coupling strength. The numerically obtained structures of the underlying quantum-phase spaces of the linear and nonlinear random oscillators are examined. Possible use of these results in a problem of chemical origin is explored. © 1997 John Wiley & Sons, Inc.
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    Electronic structure of testosterone: A semiempirical and ab initio assessment (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 62 (1997), S. 279-289 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Testosterone (17β-hydroxy-4-androsten-3-one) was studied by the semiempirical AM1 and PM3 and ab initio STO-3G*, 3-21G*, and 6-31G* methods. The goals were to compare those methods and to know the electronic structure of the hormone. Full geometry optimization was performed, and two crystal conformers (T1 and T2), and experimental dipole moment in solution were used for comparison. One conformer with a dipole moment similar to the solvated conditions was generated. Total energy, entalphies, dipole moments, charges, electrostatic potentials, and highest occupied molecular orbitals (HOMO) and lowest unoccupied molecular orbital (LUMO) were calculated. Root-mean-square (RMS) index of the theoretical molecules against T1 and T2 showed best results with the 3-21G* and 6-31G* methods, while AM1 gave better energies than PM3. Dipole moments were directed toward the OH group and the botton face of the A ring. The frontier orbitals were located along the C4-C5 π bond, particularly the LUMO was split between C4 and C5, predicting the action of enzymes at C5 yielding to 5α and 5β-reduced androgens. Electrostatic potentials might be also of biological importance since they are coincidental with the dipole-moment orientation. Finally, it is interesting that the solvatedlike conformer, its properties, and the OH group laid between the same group of T1 and T2 and with a total energy between the crystals and the gas phase or in vacuo conditions. This results might also explain the biology of testosterone and use them to model the hormone-receptor interaction. © 1997 John Wiley & Sons, Inc.
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    Electronic Resource
    Photoelectron spectra of molecules. II. Carboxylic acids and their esters (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 62 (1997), S. 303-314 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: He I photoelectron (PE) spectra of four carboxylic acids and five esters are measured. Semiempirical and ab initio quantum chemical calculations are used for the interpretation of the spectra. The complex approach which uses empirically established relationships (the dependence of valence electron ionization energies on proton affinities in the gas phase, on the core level ionization energies, and on the structure) was developed. © 1997 John Wiley & Sons, Inc.
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    Molecular orbital analysis of chemical carcinogens (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 62 (1997), S. 323-328 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Simple molecular orbital calculations are employed in searching electronic parameters which may characterize the chemical carcinogens. Using frontier orbitals, the carcinogen-DNA bond formation is described as an electron transfer from the highest occupied molecular orbital (HOMO) of DNA to the lowest unoccupied molecular orbital (LUMO) of the carcinogen. Analysis of the DNA bases units shows that the electron donation occurs preferentially at the guanine site. The calculated low LUMO energy of several carcinogens indicate correctly the electrophilic character of these compounds. The difference between the carcinogen and the ultimate carcinogen is analyzed. Epoxides, free radicals, alkylating agents, and other metabolite forms are studied. A reasonable correlation is found between the LUMO energy and the carcinogenic function. © 1997 John Wiley & Sons, Inc.
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    Electronic Resource
    Molecular dynamics simulation of the free surface of liquid formamide (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 63 (1997), S. 1123-1131 
    Details
    ISSN: 0020-7608
    Keywords: MD simulations ; liquid surface ; formamide ; molecular orientation ; molecular surface density ; Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Molecular dynamics simulations of liquid formamide(HCONH2) were carried out using the GROMOS software. The formamide molecule is represented by all of its atoms with all internal degrees of freedom. In contrast to other simulations dealing with bulk properties, this study focuses on the interface liquid-vacuum for the first time. We show that the molecular plane is tilted out of the surface, exposing the HCO group to the vacuum.   © 1997 John Wiley & Sons, Inc. Int J Quant Chem 63: 1123-1131, 1997
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    Electronic Resource
    A very accurate grid method for the solution of Schrödinger equations: The helium ground state (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 63 (1997), S. 1065-1078 
    Details
    ISSN: 0020-7608
    Keywords: very precise eigenvalues ; very accurate grid method ; general solution for Schrödinger equations ; rapidly convergent treatment for helium eigenvalues ; superconvergence ; optimization of grids ; treatment of continuum ; Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An extension to the theory of Schrödinger equations has been made which enables the derivation of eigenvalues from a consideration of a very small part of geometric space. The concomitant unwanted continuum effects have been removed. The theory enables very convergent or “superconvergent” calculations. In the case of the helium ground state, E=-2.90372437703411987 Eh was obtained from 251 terms. The result is comparable to that from the largest variation calculations so far carried out reinforced by extrapolation techniques. The theory is extensible to atoms and molecules irrespectively of the number of electrons or nuclear centers. In these cases, the advantage of “superconvergent” calculations will be more pronounced than in the case of helium.   © 1997 John Wiley & Sons, Inc. Int J Quant Chem 63: 1065-1078, 1997
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    Noninteger principal quantum numbers increase the efficiency of Slater-type basis sets (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 62 (1997), S. 1-11 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Roothaan-Hartree-Fock (RHF) calculations are carried out for the ground states of the atoms from helium to xenon using a minimal basis set of Slater-type functions whose principal quantum numbers are allowed to take variationally optimal noninteger values. The resulting energies are substantially superior to those obtained previously under the usual restriction that principal quantum numbers be positive integers. The energy lowering relative to the single-zeta wave functions of Clementi and co-workers ranges from 0.0066 Eh in He to 11.2 Eh in Xe. Our results are superior to those obtained by Höjer using a minimal basis set of unconventional binomially screened basis functions. Noninteger principal quantum numbers benefit d-orbitals the most; physically realistic negative d-orbital energies are obtained in all cases including those transition-metal atoms for which a conventional single-zeta STF basis leads to positive d-orbital energies. © 1997 John Wiley & Sons, Inc.
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    Ab initio study on the reaction of Sc+ + CH4 → Sc+(SINGLE BOND)CH2 + H2 (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 62 (1997), S. 23-27 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An ab initio study on the reaction of the ground state (3D) and the excited state (1D) of Sc+ with methane was performed. Reaction channels on the singlet and triplet potential surface (PES) and the reaction mechanism are examined and discussed. Three regions of the potential surface was studied: the molecular complex, the C(SINGLE BOND)H insertion products, and the transition states for the reaction. Comparisons between singlet and triplet PESs show that the excited state (1D) of Sc+ has more reactivity with methane than does the ground state (3D) due to the spin quantum number conservation with the more stable insertion intermediate. © 1997 John Wiley & Sons, Inc.
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    Electronic Resource
    Influence of hybridization displacement charge on the description of electrostatic potentials of molecules with multiple electrophilic sites (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 62 (1997), S. 67-76 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The importance of the hybridization displacement charge (HDC) in describing molecular electrostatic potential (MEP) maps was demonstrated by studying six molecules; pyrazine N-oxide, para-nitropyridine, 5-nitropyrimidine, 3-nitropyridazine, N2, and N2O. It is shown that continuously distributed HDC-corrected Löwdin charges reproduce the MEP features of these molecules, most of which have competing electrophilic sites, in agreement with ab initio results. Further, it is found that for homonuclear diatomic molecules MEP minima can be located properly using HDC-corrected Löwdin (or HDC-corrected Mulliken) continuously distributed charges, but these features cannot be obtained using the conventional Löwdin (or Mulliken) charges. It was shown that the order of molecular electric field (MEF) values near the different electrophilic sites becomes changed when one moves away from the molecules. Thus, pyridine-type nitrogen atoms are the preferred binding sites close to the molecules, while at large distances, effects of oxygen atoms of the NO groups become dominant. © 1997 John Wiley & Sons, Inc.
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    Crystalline and local vibrations of paired bases in poly(dG)-poly(dC) interacting with the h-b-1 hydrogen bond (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 62 (1997), S. 115-124 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Some types of atomic vibrations in a chain of the DNA type constructed of G-C pairs were studied. These are the atomic vibrations of the lateral groups of guanine and N(3)H(1)H(2) of cytosine connected by the hydrogen bond h-b-1 and the vibrations of the centers of masses of bases in the direction parallel to bonds h-b-i, i = 1-3. The vibrations mix partially due to the dependence of the energy of the bond h-b-1 on its length and split into two bands because of the interaction between neighboring base pairs. It was shown that the excitation of the bond h-b-1 results in the splitting off of the two local vibrations and in a small deformation of the chain in the vicinity of the pair with the localized hydrogen bond. The law of the dispersion of band vibrations, values of the split-off frequencies, and degree of poly(dG)-poly(dC) chain deformation were determined. © 1997 John Wiley & Sons, Inc.
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    Electronic Resource
    Modeling properties of the HF dimer in argon clusters (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 62 (1997), S. 55-65 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We compare geometry configurations, vibrational properties, and electronic structures of (HF)2 in a free state and inside argon atom shells Arn. For the first stage, molecular dynamics calculations for the (HF)2 · Ar62 heterocluster are performed with the help of model potentials HF(SINGLE BOND)HF, Ar(SINGLE BOND)Ar, and Ar(SINGLE BOND)HF. Then, ab initio quantum chemistry analysis is carried out for the smaller systems (HF)2 · Ar15 and (HF)2 · Ar6 when keeping the argon atoms closest to the trapped dimer. We conclude that the hydrogen-bonded complex (HF)2 gains some extra stability inside the argon shells, originating primarily from a decrease of intermolecular distance RFF. Electronic structure calculations are in accord with the changes in dynamical properties, namely, a noticeable increase in the vibrational frequency assigned to the F(SINGLE BOND)F stretching mode (+25 cm-1) and decrease in rms deviations for the corresponding coordinate δFF. In addition to these changes, the argon atoms of the nearest solvent shell donate a small fraction of electron charge which is spent for an increase of population of the antibonding orbital σ*Hf(SINGLE BOND)Ff of the free monomer unit and shift orbital energies primarily of the lone-pair fluorine species. These shifts are greater than the changes due to geometry alterations and the possible inaccuracies of the calculation scheme. © 1997 John Wiley & Sons, Inc.
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    Efficient evaluation of the algebrants of VB wave functions using the successive expansion method. I. Spin S = 0, ½ (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 62 (1997), S. 245-259 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An efficient expansion method for the evaluation of VB matrix elements is introduced. The overlaps of VB wave functions of N electrons can be treated as algebrants, i.e., generalized determinants, of N × N matrices. An algebrant can be expanded with subalgebrants of lower orders in a successive way. By choosing Rumer spin bases and appropriately arranging the expansion, it is found that the number of unique subalgebrants involved in the expansion increases in a quite moderate way with N. In contrast to the traditional symmetric group approach, which explicitly utilizes all N! representation matrices, the new strategy incorporates the group theoretical factors in a simple way in the successive expansion. As only the unique subalgebrants are further expanded, the computational effort required by the new strategy scales in a very acceptable manner with the increasing number of electrons. © 1997 John Wiley & Sons, Inc. Int J Quant Chem 62: 245-259, 1997
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    Characters of two-row representations of the symmetric group (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 62 (1997), S. 261-264 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Characters of irreducible representations (irreps) of the symmetric group corresponding to the two-row Young diagrams, i.e., describing transformation properties of N-electron eigenfunctions of the total spin operators, have been expressed as explicit functions of the number of electrons N and of the total spin quantum number S. The formulas are useful in various areas of theory of many-electron systems, particularly in designing algorithms for evaluation of spectral density moments. © 1997 John Wiley & Sons, Inc.
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    Computation of bond dissociation energy for sulfides and disulfides with ab initio and density functional theory methods (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 62 (1997), S. 291-296 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The geometries and S-H, S-S, and S-C bond dissociation energies for hydrogen sulfide, hydrogen disulfide, methanethiol, dimethyl disulfide, and dimethyl disulfide were calculated with both ab initio (ROHF and MP2), hybrid (BHandH, BHandHLYP, Becke3LYP and Becke3P86), and nonlocal (BLYP and BP86) density functional theory (DFT) methods. In all studies the 6-31 + G(d) basis set is used. The computed results are compared to the experimentally obtained values, targeting the selection of a suitable ab initio or DFT method for the study of these systems. © 1997 John Wiley & Sons, Inc.
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    Theoretical study on the pyrolysis mechanism and kinetics of β-hydroxyketones (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 62 (1997), S. 297-302 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The mechanism and kinetics for the decomposition of β-hydroxypropaldehyde, primary and secondary β-hydroxyketones, were studied by using ab initio RHF/6-31G and RHF/6-31G* methods. The activation barriers of these reactions were refined to be 39.57, 40.10, and 36.80 kcal mol-1 at the MP2/ /RHF/6-31G* level, respectively. The calculated results show that each decomposition is a concerted process with hydrogen transferring and bond breaking via a six-membered cyclic transition state. The thermal rate constants of the decomposition of primary and secondary β-hydroxyketones were obtained by calculating microcanonical probability fluxes through each transition state. It is theoretically confirmed that methyl substitution at the hydroxyl carbon of β-hydroxyketones causes a small enhancement in rates. The theoretical investigations of the mechanism and the rate constants are in agreement with the experimental results. © 1997 John Wiley & Sons, Inc.
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    Numerical solution for the ground-state energy of the anisotropic Heisenberg model (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 62 (1997), S. 13-21 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An analysis of the anisotropic Heisenberg model is carried out by solving the Bethe ansatz solution of the model numerically as a function of the anisotropy parameter for finite N. A brief introduction to the limit of the infinite chain is presented. The energy for a few special limiting cases of the anisotropy parameter in the Hamiltonian are worked out. Numerical results for finite cycles as well as for the infinite chain are given. Comparison can then be made with the case of finite increasing N. © 1997 John Wiley & Sons, Inc.
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    Evaluation of a characteristic atomic radius by an ab initio method (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 62 (1997), S. 47-53 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The MELD program is employed to evaluate the Slater average potential v(r) felt by an electron at the point r within an atom. The characteristic radius R of the atom is then defined by the classical turning point equation v(R) = -I, where I denotes the first ionization potential of the atom. The atomic radii defined in this way have a close correlation with the van der Waals atomic radii. © 1997 John Wiley & Sons, Inc.
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    Accurate nonrelativistic energies for 2Pe states of the Li isoelectronic series (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 62 (1997), S. 77-88 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Highly accurate upper bounds for several 2Pe states of the Li isoelectronic series obtained by extensive Hylleraas-Cl calculations are given. The best value for the 22Pe state (1s2p2) of Li is -5.21373920 au. The evaluation of the occurring integrals is given explicitly. Additionally, we present some expectation values and isotope energies of the Li isoelectronic series. © 1997 John Wiley & Sons, Inc.
    Additional Material: 11 Tab.
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    Hydrogen-bonding effects, electrostatic potential, and the antitumor activity of flavone acetic acid and related compounds. III. Ab initio studies on the conformation space (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 62 (1997), S. 97-113 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Restricted geometry optimizations at the ab initio SCF level with the 3-21G basis set were employed to investigate the conformation space of flavone acetic acid (FAA) and its related compounds. All the conformations are produced from a conformation which is, according to our previous work, probably the active conformation in terms of antitumor activity shown by these compounds. Detailed studies on FAA were carried out while only brief discussions are made on the analogs. The main results obtained are that (1) FAA is a very flexible molecule, e.g., with the energy barrier up to about 3 kcal mol-1 from the reference conformation, the important torsional angle τ1 can change from 27.0° to 117.0°, τ2 from -168.0° to 2.0°, and τ3 from -50.0° to 30.0°; (2) the hydrogen-bonding effect plays an important role in determining lower-energy conformations; (3) among all the FAA conformations considered, some are active and some are inactive; (4) it seems that the analogs will have similar behavior to FAA when the torsional angle τ3 is restricted to the values which are around the equilibrium values; and (5) the hypothesis put forward previously has been further developed in this work. Now, we postulate that efficient charge transfers will lower the energy and that proper charge transfers will activate the molecule. There are mainly two different types of charge transfer corresponding to two different types of conformation, which are specified in this article. © 1997 John Wiley & Sons, Inc.
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    Evaluation of screened nuclear attraction and electron repulsion molecular integrals over Gaussian basis functions (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 62 (1997), S. 273-278 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Analytical solutions to the Yukawa-like screened Coulomb nuclear attraction and electron repulsion molecular basic integrals, as well as to the basic integrals required to compute the virial coefficient, over Gaussian basis functions, are derived and cast into a practical closed form, suitable to interface with modern codes for the calculation of molecular electronic structure. © 1997 John Wiley & Sons, Inc.
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    Power series with rational coefficients for two-electron atom energies (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 63 (1997), S. 1079-1089 
    Details
    ISSN: 0020-7608
    Keywords: large-order perturbation theory ; lie algebra ; three-body problem ; symbolic computations ; helium atom ; Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The method of o(4, 2) operator replacements is generalized. As a result, the series whose limiting values when the variable goes to  +∞ should correspond to the two-electron atom energies now have rational coefficients. This generalization allows one also to compute the series for the case of singlet S symmetry, a case which could not be considered in the previous original formulation of the method. Series with rational coefficients for the helium singlet and triplet S ground-state energy are calculated up to order 41 and 45, respectively. Moreover, symbolic computations also allow one to give the first few coefficients of these series for arbitrary values of the nuclear charge Z. Finally, a new method for analytic continuation to the limit  +∞ is presented for the energies of the helium singlet and triplet ground states.   © 1997 John Wiley & Sons, Inc. Int J Quant Chem 63: 1079-1089, 1997
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    A study of bond-cleavage and bond-formation processes in some simple metathesis reactions (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 63 (1997), S. 1099-1106 
    Details
    ISSN: 0020-7608
    Keywords: metathesis reactions ; bond order ; free valence ; minimum energy path ; nonsynchronization ; Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A few simple atom-transfer reactions (i.e., Ȧ+X-A→A-X+Ȧ) are studied by quantum mechanical ab initio methods. Emphasis is given to the detailed analysis of density matrices rather than to the energetics. Results reveal that during these reactions a small free valence always develops on the migrating atom at the transition state. The barriers in these reactions arise from the greater extent of bond cleavage in the reactant than that of bond formation in the transition state. Analysis of bond orders estimated from bond lengths using Pauling's relation also leads to the fact that the bond-cleavage process is more advanced than is the bond-formation process in these reactions.   © 1997 John Wiley & Sons, Inc. Int J Quant Chem 63: 1099-1106, 1997
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    Theoretical study on Pd dimer and trimer interaction with the hydrogen molecule (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 62 (1997), S. 29-45 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The H2 interaction with the Pd dimer and trimer were studied using multiconfigurational self-consistent field (MC-SCF) calculations with the relativistic effective core potential (RECP); the correlation energy correction was included in the extended multireference configuration interaction (MRCI), variational and perturbative to second order. Here, we considered the Pd2 first six states: 3Σ+u, 1Σ+g, 3Πg, 3Δxy, 1Σ+u, and 3Σ+g. For them, the four geometrical approaches included were the side-on H2 toward Pd2, for the hydrogen molecule in and out the Pd dimer plane; the perpendicular end-on H2 toward Pd2; and the perpendicular end-on Pd2 to H2. The Pd2 ground state is 3Σ+u, which only captures H2 in the C2v end-on approach, softly relaxing the H(SINGLE BOND)H bond. The closed-shell 1Σ+g captures the H2 molecule in all the approaches considered: The side-on approach of this state presents deep wells and relaxes the H(SINGLE BOND)H bond, and the end-on approach captures H2 with a relatively longer H(SINGLE BOND)H distance and also a deep well. The 3Πg state was the only one which did not capture H2. For the triangular Pd3 clusters, H2 was approached in the C2v symmetry in and out of the Pd3 plane. In the triangular case, H2 was absorbed in both spin states, with deep wells and relaxing the H(SINGLE BOND)H distance. The linear Pd3 singlet and triplet states capture outside of the Pd3 and break the H(SINGLE BOND)H bond. © 1997 John Wiley & Sons, Inc.
    Additional Material: 11 Ill.
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    Total and partial decay widths in vibrational predissociation of the HeI2 van der Waals complex for lower initial vibrational excitations (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 62 (1997), S. 89-96 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We presented a calculation of the total and partial decay widths of vibrational predissociation (VP) of the HeI2 molecule for low initial vibrational excitations from the lowest van der Waals (vdW) state with total angular momentum J = 0. A time-dependent golden rule wave-packet method was employed in our numerical calculations for the decay widths. The computed total decay widths, lifetimes, and rates of VP are in fairly good agreement with those extrapolated from the experimental data available. Predicted total decay widths as a function of initial vibrational levels exhibit a highly nonlinear behavior. These results demonstrate that a quantum mechanical decay mode for low vibrational excitation remains as well. The total propagation time needed in the time-dependent golden rule wave-packet calculations is much shorter than is the lifetime of the predissociation of HeI2. It is shown that the final-state interaction between the fragments is important for determining the final rotational-state distribution (partial decay width). We find that the major peak position in the final rotational-state distribution shifts to lower rotational energy levels with increase of the initial vibrational quantum number, which is evidently different from that for higher vibrational levels. This fact can be clearly explained by the dependence of the amount of kinetic energy released to the product degrees of freedom on the initial vibrational state. © 1997 John Wiley & Sons, Inc.
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    Resonances and antibound states in a Morse potential (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 62 (1997), S. 239-244 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We calculate the resonant and antibound state energies for a Morse potential with a centrifugal barrier using Siegert boundary conditions. Starting with a complex wave number k (purely imaginary for bound and antibound states), we integrate numerically from the origin up to a matching point using Numerov's method. The inward integration is performed using the corresponding (first-order) Riccati equation. The complex eigenvalues are found by matching the two logarithmic derivatives. We find narrow shape resonances within the well, above the dissociation limit, and broad resonances above the centrifugal barrier. Antibound states are found even with J = 0. © 1997 John Wiley & Sons, Inc.
    Additional Material: 3 Ill.
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    A study of methanetetraol dehydration to carbonic acid (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 62 (1997), S. 315-322 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Two alternative dehydration reactions C(OH)4 → (HO)2CO + H2O and C(OH)4 + H2O → (HO)2CO + 2H2O are studied by ab initio Becke3LYP/6-311 + G** and MP2/6-31G** methods. Calculated energy and geometry characteristics of intermediates and transition states predict a catalytic effect of one water molecule and the exothermism of the transformations. Relevant HF/6-311 + G**, HF/6-31G**, HF/6-31G, and HF/3-21G calculations were performed for comparison. © 1997 John Wiley & Sons, Inc.
    Additional Material: 5 Ill.
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    Generalized relativistic effective core potential: Gaussian expansions of potentials and pseudospinors for atoms Hg through Rn (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 63 (1997), S. 1107-1122 
    Details
    ISSN: 0020-7608
    Keywords: relativistic pseudopotentials ; heavy atoms ; method of molecular calculation ; electronic structure ; Gaussian approximation ; Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The Gaussian expansions of the generalized relativistic effective core potential (GRECP) components are reported for elements Hg through Rn. The accuracy of the analytical GRECPs is estimated by calculations of atomic transition energies with the numerical one-configurational wave functions in comparison with Dirac-Fock calculations. The results of the corresponding calculations with the RECPs of other groups are also given. An “averaged error” in the reproduction of the transition energies without the change of the occupation number of the 5d-shell is an order of magnitude smaller than that for the RECPs of other groups. As is demonstrated for the transitions with the change of the occupation number of the 5d-shell in mercury, the largest absolute error of the GRECP is only 1.5-2 times smaller than that of the energy-adjusted pseudopotential (PP) or the RECP of Ross et al. with the same space of explicitly treated electrons. However, the dispersion of these errors is 19⋅10-4 au for the energy-adjusted PP, 35⋅10-4 au for the RECP of Ross et al. and only 4⋅10-4 au for the GRECP. One-configurational spin-averaged calculations of the molecular properties for HgH and HgH+ are carried out and compared with the corresponding results of Häussermann et al.   © 1997 John Wiley & Sons, Inc. Int J Quant Chem 63: 1107-1122, 1997
    Additional Material: 17 Tab.
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    Bruchid resistance of transgenic azuki bean expressing seed α-amylase inibitor of common bean (1996)
    Springer
    Entomologia experimentalis et applicata 79 (1996), S. 309-315 
    Details
    ISSN: 1570-7458
    Keywords: insect resistance ; genetic engineering ; host specificity ; transgenic plant ; α-amylase inhibitor ; Callosobruchus spp. ; Zabrotes subfasciatus
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract Various species of bruchid beetles including Callosobruchus chinensis, C. maculatus and C. analis cause postharvest damage of azuki bean seeds, an important East Asian grain legume. The α-amylase in the midguts of these insects is inhibited by the α-amylase inhibitor (αAI) present in common bean seeds. Transformation of azuki bean with the αAI gene driven by the promoter of phytohemagglutinin results in high levels of αAI in the seeds and the complete block of bruchid development on the seeds. Zabrotes subfasciatus, a South and Central American bruchid that is a storage pest of common bean, develops normally on the transgenic azuki bean.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00186289
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    Antimicrobial peptides fromMirabilis jalapa andAmaranthus caudatus: expression, processing, localization and biological activity in transgenic tobacco (1996)
    Springer
    Plant molecular biology 31 (1996), S. 993-1008 
    Details
    ISSN: 1573-5028
    Keywords: antifungal ; genetic engineering ; precursor processing ; protein sorting ; disease resistance
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract The cDNAs encoding the seed antimicrobial peptides (AMPs) fromMirabilis jalapa (Mj-AMP2) andAmaranthus caudatus (Ac-AMP2) have previously been characterized and it was found that Mj-AMP2 and Ac-AMP2 are processed from a precursor preprotein and preproprotein, respectively [De Bolleet al., Plant Mol Biol 28:713–721 (1995) and 22:1187–1190 (1993), respectively]. In order to study the processing, sorting and biological activity of these antimicrobial peptides in transgenic tobacco, four different gene constructs were made: a Mj-AMP2wild-type gene construct, a Mj-AMP2 mutant gene construct which was extended by a sequence encoding the barley lectin carboxyl-terminal propeptide, a known vacuolar targeting signal [Bednarek and Raikhel, Plant Cell 3: 1195–1206 (1991)]; an Ac-AMP2wild-type gene construct; and finally, an Ac-AMP2 mutant gene construct which was truncated in order to delete the sequence encoding the genuine carboxyl-terminal propeptide. Processing and localization analysis indicated that an isoform of Ac-AMP2 with a cleaved-off carboxyl-terminal arginine was localized in the intercellular fluid fraction of plants expressing eitherwild-type or mutant gene constructs. Mj-AMP2 was recovered extracellularly in plants transformed with Mj-AMP2wild-type gene construct, whereas an Mj-AMP2 isoform with a cleaved-off carboxyl-terminal arginine accumulated intracellularly in plants expressing the mutant precursor protein with the barley lectin propeptide. Thein vitro antifungal activity of the AMPs purified from transgenic tobacco expressing any of the four different precursor proteins was similar to that of the authentic proteins. However, none of the transgenic plants showed enhanced resistance against infection with eitherBotrytis einerea orAlternaria longipes.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00040718
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    General resistance against potato virus Y introduced into a commercial potato cultivar by genetic transformation with PVYN coat protein gene (1996)
    Springer
    Potato research 39 (1996), S. 271-282 
    Details
    ISSN: 1871-4528
    Keywords: Pathogen derived resistance ; genetic engineering ; Solanum tuberosum L
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Summary Transgenic cv. Folva potato plants expressing the coat protein gene of potato virus Y strain N (PVYN) were produced usingAgrobacterium tumefaciens mediated transformation. Forty independent transformants were selected for resistance screening. Four clones showed complete resistance to mechanical inoculation with all the five PVY isolates tested: the PVYN isolate from which the coat protein gene was derived, two PVYO isolates, and two PVYNTN isolates. Two of the fully resistant clones contained only one copy of the transgene, demonstrating that it is possible by genetic engineering to obtain highly virus resistant potato clones that can also be useful in future breeding programmes.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02360919
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    Preconditioning Mixed Finite Element Saddle-point Elliptic Problems (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 1-20 
    Details
    ISSN: 1070-5325
    Keywords: preconditioning saddle-point problems ; eigenvalue estimation ; mixed finite element method ; minimum residual method ; second-order elliptic problems ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: We consider saddle-point problems that typically arise from the mixed finite element discretization of second-order elliptic problems. By proper equivalent algebraic operations the considered saddle-point problem is transformed to another saddle-point problem. The resulting problem can then be efficiently preconditioned by a block-diagonal matrix or by a factored block-matrix (the blocks correspond to the velocity and pressure, respectively). Both preconditioners have a block on the main diagonal that corresponds to the bilinear form(δ is a positive parameter) and a second block that is equal to a constant times the identity operator. We derive uniform bounds for the negative and positive eigenvalues of the preconditioned operator. Then any known preconditioner for the above bilinear form can be applied. We also show some numerical experiments that illustrate the convergence properties of the proposed technique.
    Additional Material: 2 Tab.
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    Masthead (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996) 
    Details
    ISSN: 1070-5325
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nla.1680030101
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  • 54
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    Multifrontal QR Factorization in a Multiprocessor Environment (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 275-300 
    Details
    ISSN: 1070-5325
    Keywords: sparse QR factorization ; multifrontal method ; parallelism ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: We describe the design and implementation of a parallel QR decomposition algorithm for a large sparse matrix A. The algorithm is based on the multifrontal approach and makes use of Householder transformations. The tasks are distributed among processors according to an assembly tree which is built from the symbolic factorization of the matrix ATA.We first address uniprocessor issues and then discuss the multiprocessor implementation of the method. We consider the parallelization of both the factorization phase and the solve phase. We use relaxation of the sparsity structure of both the original matrix and the frontal matrices to improve the performance. We show that, in this case, the use of Level 3 BLAS can lead to very significant gains in performance. We use the eight processor Alliant˜FX/80 at CERFACS to illustrate our discussion.
    Additional Material: 12 Ill.
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    Two-stage Multisplitting Methods with Overlapping Blocks (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 113-124 
    Details
    ISSN: 1070-5325
    Keywords: iterative methods ; linear systems ; multisplittings ; overlap ; parallel algorithms ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: Parallel two-stage multisplitting methods with overlap for the solution of linear systems of algebraic equations are studied. It is shown that, under certain hypotheses, the method with overlap is asymptotically faster than that without overlap. Experiments illustrating this phenomenon are presented.
    Additional Material: 2 Ill.
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    On Fast Computations with the Inverse to Harmonic Potential Operators via Domain Decomposition (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 91-111 
    Details
    ISSN: 1070-5325
    Keywords: boundary integral operators ; domain decomposition ; interface operators ; fast elliptic problem solvers ; parallel algorithms ; preconditioning ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: In this paper a method for fast computations with the inverse to weakly singular, hypersingular and double layer potential boundary integral operators associated with the Laplacian on Lipschitz domains is proposed and analyzed. It is based on the representation formulae suggested for above-mentioned boundary operations in terms of the Poincare-Steklov interface mappings generated by the special decompositions of the interior and exterior domains. Computations with the discrete counterparts of these formulae can be efficiently performed by iterative substructuring algorithms provided some asymptotically optimal techniques for treatment of interface operators on subdomain boundaries. For both two- and three-dimensional cases the computation cost and memory needs are of the order O(N logp N) and O(N log2 N), respectively, with 1 ≤ p ≤ 3, where N is the number of degrees of freedom on the boundary under consideration (some kinds of polygons and polyhedra). The proposed algorithms are well suited for serial and parallel computations.
    Additional Material: 2 Ill.
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    Short Communication: Two Properties of Diagonally Dominant Matrices (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 173-177 
    Details
    ISSN: 1070-5325
    Keywords: diagonally dominant matrix ; determinant ; norm ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: A property of strictly diagonally dominant matrices and a generalization of a Varga's bound for ∥ A-1∥∞ to the case ∥ A-1B∥∞ are given and the two-sided bounds for the determinants of strictly diagonally dominant matrices are derived
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    Piecewise Polynomial Solutions Without a priori Break Points (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 513-524 
    Details
    ISSN: 1070-5325
    Keywords: regularization ; I-norm ; discontinuous solutions ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: In certain inverse problems it is useful to be able to compute solutions which are, in some sense, as simple as possible. For example,k one may wish to compute solutions which are piecewise constant and with as few discontinuities as possible. Such solutions are suited to describe models, e.g., geological layers, where the coarse structure is more important than the fine structure. A natural generalization of piecewise constant functions is piecewise polynomial solutions. In this paper we present a new algorithm which is capable of computing solutions that are piecewise polynomials, without having to specify a priori the positions of the break points between the polynomial pieces.
    Additional Material: 5 Ill.
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    On IOM(q): The Incomplete Orthogonalization Method for Large Unsymmetric Linear Systems (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 491-512 
    Details
    ISSN: 1070-5325
    Keywords: unsymmetric ; Krylov subspace ; IOM(q) ; FOM ; truncated ; basis vector ; orthonormality ; convergence ; restarted ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: The incomplete orthogonalization method (IOM(q)), a truncated version of the full orthogonalization method (FOM) proposed by Saad, has been used for solving large unsymmetric linear systems. However, no convergence analysis has been given. In this paper, IOM(q) is analysed in detail from a theoretical point of view. A number of important results are derived showing how the departure of the matrix A from symmetric affects the basis vectors generated by IOM(q), and some relationships between the residuals for IOM(q) and FOM are established. The results show that IOM(q) behaves much like FOM once the basis vectors generated by it are well conditioned. However, it is proved that IOM(q) may generate an ill-conditioned basis for a general unsymmetric matrix such that IOM(q) may fail to converge or at least cannot behave like FOM. Owing to the mathematical equivalence between IOM(q) and the truncated ORTHORES(q) developed by Young and Jea, insights are given into the convergence of the latter. A possible strategy is proposed for choosing the parameter q involved in IOM(q). Numerical experiments are reported to show convergence behaviour of IOM(q) and of its restarted version.
    Additional Material: 6 Tab.
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    Block Two-stage Methods for Singular Systems and Markov Chains (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 413-426 
    Details
    ISSN: 1070-5325
    Keywords: iterative methods ; linear systems ; singular matrices ; block methods ; multisplitting ; two-stage ; non-stationary ; Markov chains ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: The use of block two-stage methods for the iterative solution of consistent singular linear systems is studied. In these methods, suitable for parallel computations, different blocks, i.e., smaller linear systems, can be solved concurrently by different processors. Each of these smaller systems are solved by an (inner) iterative method. Hypotheses are provided for the convergence of non-stationary methods, i.e., when the number of inner iterations may vary from block to block and from one outer iteration to another. It is shown that the iteration matrix corresponding to one step of the block method is convergent, i.e., that its powers converge to a limit matrix. A theorem on the convergence of the infinite product of matrices with the same eigenspace corresponding to the eigenvalue 1 is proved, and later used as a tool in the convergence analysis of the block method. The methods studied can be used to solve any consistent singular system, including discretizations of certain differential equations. They can also be used to find stationary probability distribution of Markov chains. This last application is considered in detail.
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    Editorial (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 349-350 
    Details
    ISSN: 1070-5325
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: No Abstract
    Type of Medium: Electronic Resource
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  • 62
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    Multilevel Preconditioners for Mixed Methods for Second Order Elliptic Problems (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 427-453 
    Details
    ISSN: 1070-5325
    Keywords: mixed method ; nonconforming method ; multilevel preconditioner ; condition number ; second order elliptic problem ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: A new approach for constructing algebraic multilevel preconditioners for mixed finite element methods for second order elliptic problems with tensor coefficients on general geometry is proposed. The linear system arising from the mixed methods is first algebraically condensed to a symmetric, positive definite system for Lagrange multipliers, which corresponds to a linear system generated by standard nonconforming finite element methods. Algebraic multilevel preconditioners for this system are then constructed based on a triangulation of the domain into tetrahedral substructures. Explicit estimates of condition numbers and simple computational schemes are established for the constructed preconditioners. Finally, numerical results for the mixed finite element methods are presented to illustrate the present theory.
    Additional Material: 4 Ill.
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  • 63
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    Conference diary (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 455-457 
    Details
    ISSN: 1070-5325
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nla.1680030502
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  • 64
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    A Comparison of Three Basic Conjugate Direction Methods (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 473-489 
    Details
    ISSN: 1070-5325
    Keywords: conjugate gradients ; biconjugate gradients ; conjugate directions ; non-symmetric linear systems ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: In this paper three basic conjugate direction methods for solving non-symmetric linear systems are described and compared. All three have entirely different basic structures and, consequently, completely different characteristics. The motivation for this work is the comparative assessment of the methods in order to decide which of the three is the most suitable for further development.
    Additional Material: 8 Ill.
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  • 65
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    Masthead (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996) 
    Details
    ISSN: 1070-5325
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nla.1680030601
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  • 66
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    Conference diary (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 543-545 
    Details
    ISSN: 1070-5325
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nla.1680030602
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  • 67
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    Toeplitz Preconditioners with Block Structure for First-order PDEs (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 21-44 
    Details
    ISSN: 1070-5325
    Keywords: first-order PDEs ; iterative methods ; preconditioners ; Toeplitz ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: Preconditioners to nonsymmetric, nondiagonally dominant systems of equations are constructed and examined numerically. The preconditioners are based on a Toeplitz approach with a certain symmetry that we define. The inversion of the preconditioners is defined through a Fast Modified Sine Transform. As a model problem we study the systems of equations arising from a implicit time-discretization with a large time-step of a scalar hyperbolic PDE.
    Additional Material: 17 Ill.
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  • 68
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    Generalization of Strang's Preconditioner with Applications to Toeplitz Least Squares Problems (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 45-64 
    Details
    ISSN: 1070-5325
    Keywords: Toeplitz least squares problems ; circulant preconditioned conjugate gradient method ; deconvolution ; image restoration ; atmospheric imaging ; medical imaging ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: In this paper, we propose a method to generalize Strang's circulant preconditioner for arbitrary n-by-n matrices An. The th column of our circulant preconditioner Sn is equal to the th column of the given matrix An. Thus if An is a square Toeplitz matrix, then Sn is just the Strang circulant preconditioner. When Sn is not Hermitian, our circulant preconditioner can be defined as . This construction is similar to the forward-backward projection method used in constructing preconditioners for tomographic inversion problems in medical imaging. We show that if the matrix An has decaying coefficients away from the main diagonal, then is a good preconditioner for An. Comparisons of our preconditioner with other circulant-based preconditioners are carried out for some 1-D Toeplitz least squares problems: min ∥ b - Ax∥2. Preliminary numerical results show that our preconditioner performs quite well, in comparison to other circulant preconditioners. Promising test results are also reported for a 2-D deconvolution problem arising in ground-based atmospheric imaging.
    Additional Material: 5 Ill.
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  • 69
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    A Parallel Preconditioned Iterative Realization of the Panel Method in 3D (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 65-80 
    Details
    ISSN: 1070-5325
    Keywords: boundary value problem ; boundary element method ; preconditioning ; iterative method ; fast Fourier transform ; parallel algorithm ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: The parallel version of precondition iterative techniques is developed for matrices arising from the panel boundary element method for three-dimensional simple connected domains with Dirichlet boundary conditions. Results were obtained on an nCube-2 parallel computer showing that preconditioned iterative methods are very well suited also in three-dimensional cases for implementation on an MIMD computer and that they are much more efficient than usual direct solution techniques.
    Additional Material: 6 Ill.
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  • 70
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    Conference diary (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 91-93 
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    ISSN: 1070-5325
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nla.1680030102
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  • 71
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    Masthead (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996) 
    Details
    ISSN: 1070-5325
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nla.1680030401
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  • 72
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    Conference diary (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 345-348 
    Details
    ISSN: 1070-5325
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nla.1680030402
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  • 73
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    The Finite Difference Based Fast Adaptive Composite Grid Method (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 391-411 
    Details
    ISSN: 1070-5325
    Keywords: finite difference discretization ; fast adaptive composite grid method ; convergence rate ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: The fast adaptive composite grid (FAC) method is an iterative method for solving discrete boundary value problems on composite grids. McCormick introduced the method in [8] and considered the convergence behaviour for discrete problems resulting from finite volume element discretization on composite grids. In this paper we consider discrete problems resulting from finite difference discretization on composite grids. We distinguish between two obvious discretization approaches at the grid points on the interfaces between fine and coarse subgrids. The FAC method for solving such discrete problems is described. In the FAC method several intergrid transfer operators appear. We study how the convergence behaviour depends on these intergrid transfer operators. Based on theoretical insights, (quasi-)optimal intergrid transfer operators are derived. Numerical results illustrate the fast convergence of the FAC method using these intergrid transfer operators.
    Additional Material: 3 Ill.
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  • 74
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    Masthead (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996) 
    Details
    ISSN: 1070-5325
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nla.1680030501
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  • 75
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    Dykstra's Algorithm for a Constrained Least-squares Matrix Problem (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 459-471 
    Details
    ISSN: 1070-5325
    Keywords: alternating projection method ; Dykstra's algorithm ; patterned matrix ; constrained least-squares ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: We apply Dykstra's alternating projection algorithm to the constrained least-squares matrix problem that arises naturally in statistics and mathematical economics. In particular, we are concerned with the problem of finding the closest symmetric positive definite bounded and patterned matrix, in the Frobenius norm, to a given matrix. In this work, we state the problem as the minimization of a convex function over the intersection of a finite collection of closed and convex sets in the vector space of square matrices.We present iterative schemes that exploit the geometry of the problem, and for which we establish convergence to the unique solution. Finally, we present preliminary numberical results to illustrate the performance of the proposed iterative methods.
    Additional Material: 4 Tab.
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  • 76
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    Analysis of Algorithms for Orthogonalizing Products of Unitary Matrices (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 125-145 
    Details
    ISSN: 1070-5325
    Keywords: orthogonalization ; QR factorization ; polar decomposition ; subspace tracking ; error analysis ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: We consider the problem of computing Uk = QkUk-1(where U0 is given) in finite precision (εM = machine precision) where U0 and theQi are known to be unitary. The problem is that Ûk, the computed product may not be unitary, so one applies an O(n2) orthogonalizing step after each multiplication to(a) prevent Ûk from drifing too far from the set of untary matrices(b) prevent Ûk from drifting too far from Uk the true product.Our main results are1. Scaling the rows to have unit length after each multiplication (the cheaptest of the algorithms considered) is usually as good as any other method with respect to either of the criteria (a) or (b).2. A new orthogonalization algorithm that guarantees the distance of Ûk (k = 1, 2, …) to the set of unitary matrices is bounded by n3.5εM for any choice of Qi.
    Additional Material: 4 Ill.
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  • 77
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    Masthead (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996) 
    Details
    ISSN: 1070-5325
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nla.1680030201
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  • 78
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    Estimate of the Constant in Two Strengthened C.B.S. Inequalities for F.E.M. Systems of 2D Elasticity: Application to Multilevel Methods and a Posteriori Error Estimators (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 147-159 
    Details
    ISSN: 1070-5325
    Keywords: elasticity ; finite-element ; multilevel ; a posteriori error estimation ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: The constant γ in the strengthened Cauchy-Buniakowski-Schwarz (C.B.S.) inequality plays a crucial role in the convergence rate of multilevel iterative methods as well as in the efficiency of a posteriori error estimators, that is in the framework of finite element approximations of SPD problems.We consider the approximation of the 2D elasticity problem by the Courant element. Concerning multilevel convergence rate, that is the γ corresponding to nested general triangular meshes of size h and 2h, we have proved that γ2≤ 3/4$ uniformly on the mesh and the Poisson ratio. Concerning error estimator, that is the γ corresponding to quadratic and linear approximations on the same mesh, numerical computations have shown that the exact γ for a reference element deteriorates that is goes to one, when the Poisson ratio tends to 1/2
    Additional Material: 1 Ill.
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    On the Smoothing Property of Multigrid Methods in the Non-symmetric Case (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 161-172 
    Details
    ISSN: 1070-5325
    Keywords: smoothing property ; multigrid method ; semi-iterative smoother ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: In this paper we present an extension of Reusken's Lemma about the smoothing property of a multigrid method for solving non-symmetric linear systems of equations. One of the consequences of this extended lemma is the verification of the smoothing property for all damping factors οε(0, 1). Additionally, a semi-iterative smoother is constructed which gives, in some sense, optimal smoothing rate estimates.
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    Conference diary (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 179-183 
    Details
    ISSN: 1070-5325
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nla.1680030202
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    Parallel Algorithms for Orthotropic Problems (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 185-203 
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    ISSN: 1070-5325
    Keywords: orthotropic partial differential equation ; preconditioned conjugate gradient method ; parallel algorithm ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: Finite element meshes and node-numberings suitable for parallel solution with equally loaded processors are presented for linear orthotropic elliptic partial differential equations. These problems are of great importance, for instance in the oil and airfoil industries. The linear systems of equations are solved by the conjugate gradient method preconditioned by modified incomplete factorization, MIC. The basic method presented, is based on fronts of uncoupled nodes and unlike earlier methods it has the advantage of no requirement of a specific orientation of the mesh. This method is however, in general, restricted to small degree of anisotropy in the differential equation. Another method, which does not suffer from this limitation, uses rotation of the differential equation and spectral equivalence. The rotation is made in such a way that in the new co-ordinate system, the basic method is applicable. The spectral equivalence property is used for estimation of the condition number of the preconditioned system. Both methods are suitable for implementation on parallel computers. The computer architecture could be single instruction multiple data (SIMD) as well as multiple instruction multiple data (MIMD) with shared or distributed memory. Implementation of the basic method on a shared memory parallel computer shows a significant improvement by use of the MIC method compared with the diagonal scaling preconditioning method.
    Additional Material: 13 Ill.
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    Overlapping Domain Decomposition Algorithms for General Sparse Matrices (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 221-237 
    Details
    ISSN: 1070-5325
    Keywords: sparse matrix ; iterative methods ; preconditioning ; graph partitioning ; domain decomposition ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: Domain decomposition methods for finite element problems using a partition based on the underlying finite element mesh have been extensively studied. In this paper, we discuss algebraic extensions of the class of overlapping domain decomposition algorithms for general sparse matrices. The subproblems are created with an overlapping partition of the graph corresponding to the sparsity structure of the matrix. These algebraic domain decomposition methods are especially useful for unstructured mesh problems. We also discuss some difficulties encountered in the algebraic extension, particularly the issues related to the coarse solver.
    Additional Material: 4 Ill.
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    Convergence Estimates of Multilevel Additive and Multiplicative Algorithms for Non-symmetric and Indefinite Problems (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 205-220 
    Details
    ISSN: 1070-5325
    Keywords: elliptic equations ; multilevel methods ; finite element ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: New uniform estimates for multigrid algorithms are established for certain non-symmetric indefinite problems. In particular, we are concerned with the simple additive algorithm and multigrid (V(1,0)-cycle) algorithms given in [5]. We prove, without full elliptic regularity assumption, that these algorithms have uniform reduction per iteration, independent of the finest mesh size and number of refinement levels, provided that the coarsest mesh size is sufficiently small.
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    Masthead (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996) 
    Details
    ISSN: 1070-5325
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nla.1680030301
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    Globalization of Newton's Method for Solving Non-linear Equations (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 239-249 
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    ISSN: 1070-5325
    Keywords: non-linear equations ; global convergence ; Lagrangians ; non-linear programming ; Lagrangian globalization ; detour potentials ; homotopy methods ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: The Lagrangian globalization (LG) method for non-linear equation-solving proposed in [10] is developed through theoretical analysis, the formulation of a particular LG algorithm, and a numerical illustration. New merit functions (termed detour potentials) for non-linear equation-solving, which broaden the LG concept, are also defined.
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    Conference diary (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 251-254 
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    ISSN: 1070-5325
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nla.1680030302
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    Two-level Preconditioner with Small Coarse Grid Appropriate for Unstructured Meshes (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 255-274 
    Details
    ISSN: 1070-5325
    Keywords: conjugate gradient method ; preconditioning ; two-level method ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: The presented paper contains a suggestion and an analysis of a two-level preconditioner appropriate for unstructured meshes. The convergence analysis is done for H1-equivalent forms in the two-dimensional case; ways for generalization are discussed, too. The efficiency is demonstrated by numerical experiments.
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    DQGMRES: a Direct Quasi-minimal Residual Algorithm Based on Incomplete Orthogonalization (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 329-343 
    Details
    ISSN: 1070-5325
    Keywords: iterative methods ; GMRES ; Krylov methods ; incomplete orthogonalization ; quasi-minimization ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: We describe a Krylov subspace technique, based on incomplete orthogonalization of the Krylov vectors, which can be considered as a truncated version of GMRES. Unlike GMRES(m), the restarted version of GMRES, the new method does not require restarting. Like GMRES, it does not break down. Numerical experiments show that DQGMRES(k) often performs as well as the restarted GMRES using a subspace of dimension m=2k. In addition, the algorithm is flexible to variable preconditioning, i.e., it can accommodate variations in the preconditioner at every step. In particular, this feature allows the use of any iterative solver as a right-preconditioner for DQGMRES(k). This inner-outer iterative combination often results in a robust approach for solving indefinite non-Hermitian linear systems.
    Additional Material: 9 Tab.
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    A Regularization Procedure for Σn-i=1fi(zj)xi = g(zj), ( j = 1, 2, …, n) (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 81-90 
    Details
    ISSN: 1070-5325
    Keywords: linear systems ; regularization ; divided differences ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: A regularization procedure for linear systems of the type fi(zj)xi = g(zj), (j = 1, 2, …, n) is presented, which is particularly useful in the case when z1, z2, …, zn are close to each other. The associated numerical algorithm was tested on several examples for which analytic solutions do exist and was found to yield highly accurate results.
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    Low-rank Orthogonal Decompositions for Information Retrieval Applications (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 301-327 
    Details
    ISSN: 1070-5325
    Keywords: information ; latent semantic indexing ; low-rank ; orthogonal ; matrices ; metrieval ; singular value decomposition ; sparse ; ULV and URV decompositions ; updating ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: Current methods to index and retrieve documents from databases usually depend on a lexical match between query terms and keywords extracted from documents in a database. These methods can produce incomplete or irrelevant results due to the use of synonyms and polysemus words. The association of terms with documents (or implicit semantic structure) can be derived using large sparse {\it term-by-document} matrices. In fact, both terms and documents can be matched with user queries using representations in k-space (where 100 ≤ k ≤ 200) derived from k of the largest approximate singular vectors of these term-by-document matrices. This completely automated approach called latent semantic indexing or LSI, uses subspaces spanned by the approximate singular vectors to encode important associative relationships between terms and documents in k-space. Using LSI, two or more documents may be closeto each other in k-space (and hence meaning) yet share no common terms. The focus of this work is to demonstrate the computational advantages of exploiting low-rank orthogonal decompositions such as the ULV (or URV) as opposed to the truncated singular value decomposition (SVD) for the construction of initial and updated rank-k subspaces arising from LSI applications.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
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  • 91
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    A Multigrid Method Based on Incomplete Gaussian Elimination (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 369-390 
    Details
    ISSN: 1070-5325
    Keywords: multigrid ; incomplete Gaussian elimination ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: In this paper we introduce and analyse a new Schur complement approximation based on incomplete Gaussian elimination. The approximate Schur complement is used to develop a multigrid method. This multigrid method has an algorithmic structure that is very similar to the algorithmic structure of classical multigrid methods. The resulting method is almost purely algebraic and has interesting properties with respect to variation in problem parameters.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
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  • 92
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    Electronic Resource
    Multilevel Minimal Residual Methods for Nonsymmetric Elliptic Problems (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 3 (1996), S. 351-367 
    Details
    ISSN: 1070-5325
    Keywords: multilevel preconditioning ; Krylov subspace methods ; GMRES, nonsymmetric elliptic problems ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: The subject of this paper is to study the performance of multilevel preconditioning for nonsymmetric elliptic boundary value problems. In particular, a minimal residual method with respect to an appropriately scaled norm, measuring the size of the residual projections on all levels, is studied. This norm, induced by the multilevel splitting, is also the basis for a proper stopping criterion. Our analysis shows that the convergence rate of this minimal residual method using the multilevel preconditioner by Bramble, pasciak and Xu is bounded independently of the mesh-size. However, the convergence rate deteriorates with increasing size of the skew-symmetric part. Our numerical results show that by incorporating this into a multilevel cycle starting on the coarsest level, one can save fine-level-iterations and, therefore, computational work.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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  • 93
    Electronic Resource
    Electronic Resource
    Parallel computation of radiation view factors between two arbitrarily oriented surfaces (1996)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 12 (1996), S. 43-50 
    Details
    ISSN: 1069-8299
    Keywords: view factor ; radiation ; parallel computation ; heat transfer ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Two implementations for parallel computation of radiation heat transfer view factors are formulated and tested for a model problem. Using a sufficiently large number of processors and a suitable communications paradigm, the solution time for the problem considered here scales linearly with the number of surface elements in the parallel implementation rather than the quadratic scaling obtained using a serial approach. For larger problems, significantly shorter solution times are obtained using the massively parallel Connection Machine 5 than those obtained on a single processor of the Cray C-90, a traditional vector supercomputer. Parallel performance was degraded for implementations using too few processors or data layouts leading to inefficient processor communication.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
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  • 94
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    Electronic Resource
    A Taylor expansion algorithm for integration of 3D near-hypersingular integrals (1996)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 12 (1996), S. 51-62 
    Details
    ISSN: 1069-8299
    Keywords: boundary element method ; hypersingular integrals ; singular integration ; elasticity ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: An algorithm based on the Taylor series expansion is extended to deal with the problem of near-hypersingular integrals occurring in a 3D electrostatic BEM formulation. The integral is evaluated by subtracting out the leading terms in the near-hypersingular part of the integrand and adding it back. The accuracy of the proposed method is demonstrated for a curved element. It is shown that accurate values can be obtained with low orders of Gaussian quadrature.
    Additional Material: 7 Ill.
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  • 95
    Electronic Resource
    Electronic Resource
    Masthead (1996)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 12 (1996) 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640120201
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  • 96
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    Conference diary (1996)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 12 (1996), S. 147-148 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640120202
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  • 97
    Electronic Resource
    Electronic Resource
    Annoucement (1996)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 12 (1996), S. 149-150 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640120203
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  • 98
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    Electronic Resource
    An asymptotic formula for correcting finite element predicted natural frequencies of membrane vibration problems (1996)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 12 (1996), S. 63-73 
    Details
    ISSN: 1069-8299
    Keywords: asymptotic solution ; natural frequencies ; membrane vibrations ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: In the paper an asymptotic formula has been developed to correct the discretization error for the finite element predicted natural frequencies of membrane transverse vibration problems. The general idea behind deriving this asymptotic formula is that, when the finite element size approaches zero, a discretized finite element system approaches a continuous system and the predicted natural frequencies of the system from the finite element analysis therefore approach the exact solutions of the system. Without losing generality, several different finite element mesh patterns have been considered and the same asymptotic formula for correcting the finite element predicted natural frequency has been obtained for all the different mesh patterns because of the uniqueness of the exact solution to the natural frequency of a real structure. The usefulness, effectiveness and efficiency of the present asymptotic formula have been assessed by a simple but critical problem, for which the exact solution is available for comparison. In order to investigate the applicability of the asymptotic formula to practical engineering problems, two challenging membrane vibration problems of irregular shapes, an L-shape and a tapered shape with a circular hole in the centre, have also been analysed. The related numerical results have demonstrated that the asymptotic formula provides a very useful post-processing error corrector for the finite element predicted natural frequencies of membrane transverse vibration problems, even though the problem domains are of irregular shape. The greatest advantage in using the present asymptotic formula is that it yields a solution of higher accuracy, by simply using the formula to correct the rough solution obtained from a much coarser finite element mesh with fewer degrees of freedom, without any further finite element calculation.
    Additional Material: 7 Ill.
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  • 99
    Electronic Resource
    Electronic Resource
    Eigenvalue extraction for large finite element models using a new conjugate gradient algorithm (1996)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 12 (1996), S. 77-83 
    Details
    ISSN: 1069-8299
    Keywords: eigenvalue extraction ; conjugate gradient method ; finite element method ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A new conjugate gradient algorithm is presented for extracting eigenvalues from large systems of equations encountered in finite element analysis. The new algorithm involves applying the conjugate gradient method (CGM) to a static problem to generate an equivalent tridiagonal matrix used for eigenvalue computation. The eigenvalues of the tridiagonal matrix are then extracted using a QR factorization. The similarity of the new CGM with the Lanczos method is discussed regarding the need for matrix inversion and reorthogonalization. Several examples using the new method are presented to illustrate its performance.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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  • 100
    Electronic Resource
    Electronic Resource
    A direct method to derive the boundary conditions of the homogenization equation for symmetric cells (1996)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 12 (1996), S. 185-196 
    Details
    ISSN: 1069-8299
    Keywords: homogenization ; boundary conditions ; periodicity ; finite element ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The numerical solution of homogenization equations by the finite element (FE) method is explained briefly. The issue of extracting boundary conditions from the periodicity assumption is addressed and a direct method utilizing symmetry is presented. Using this method, the computation of the elements of the constitutive matrix of a composite material is reduced to a very conventional boundary value problem with known forces and boundary conditions which can be carried out with any FE code. Two examples are presented.
    Additional Material: 15 Ill.
    Type of Medium: Electronic Resource
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