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  • 1995-1999  (2)
  • 1985-1989  (18)
  • Life Sciences (general)  (13)
  • Computational Chemistry and Molecular Modeling  (7)
  • 1
    Electronic Resource
    Electronic Resource
    Construction of linearly independent relativistic symmetry orbitals for finite double-point groups including time reversal symmetry (1988)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 33 (1988), S. 445-465 
    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: A formalism is developed for the construction of relativistic symmetry-adapted molecular basis functions under consideration of time reversal invariance. The theory is applicable to the finite double point groups Cn, Cnh, Sn, Cnv, Dn, Dnd, Dnh, T, Th, Td, O, and Oh. It is based on the LCAO method. A projection operator technique is employed to construct molecular symmetry orbitals from atomic orbitals. The search for linearly independent basis function is simplified by means of group theoretical considerations.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560330505
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Towards the convergence of molecular-mechanical force fieldsOriginal proofs for this paper were delayed in the mail. (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 6 (1985), S. 1-4 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: It is noticed that inclusion of an electrostatic term in the molecular-mechanical treatment of hydrocarbons would compel the nonbonding parameters of different force fields to become more alike than they are at present. Apart from removing the discontinuity in passing from the calculation of an unfunctionalized parent compound to the calculation of its functionalized derivatives, it is expected that the inclusion would improve results for the hydrocarbons themselves.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jcc.540060102
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Molecular mechanics and molecular shape. V.For Part IV, see Ref. 1. on the computation of the bare surface area of molecules (1988)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 9 (1988), S. 18-24 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: This article examines the numerical estimation of molecular surface areas within the model of overlapping atomic spheres. One has the choice of either basing the estimate on all elements that contribute to the surface, or of ignoring systematically some elements in the interatomic clefts. It is argued that the second choice, even though more approximate, implicitly improves on the model and is to be preferred. Since surface areas are not measurable, the demonstration is unavoidably roundabout, relying mostly on correlation analysis. Among the regressors occur two compounded parameters. One, ratio of the surface area of the equivalent sphere to the surface area, is interpreted as a measure of molecular globularity. It reflects the molecular axis-ratio and surface convolution. The other, ratio of the surface area to the volume, is interpreted as a measure of the global congestion of a chemical residue. Together with a measure of the local congestion at the point of attachment, it affects the steric hindrance that a residue offers. The relation between the surface area and the number of valence electrons is also discussed.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jcc.540090104
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    Paper (German National Licenses)
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  • 4
    Electronic Resource
    Electronic Resource
    Electron correlation effects in target molecule in low-energy e- + N2 scattering (1995)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 55 (1995), S. 291-297 
    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: In this article, we discuss how to incorporate correlation aspects in the interaction of the electron with a “frozen” correlated target. We discuss the important aspects of correlation for e- + N2 scattering using configuration interaction, coupled cluster, and perturbative methods to describe the correlation in the target molecule. © 1995 John Wiley & Sons, Inc.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560550311
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    Paper (German National Licenses)
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  • 5
    Electronic Resource
    Electronic Resource
    Enhancement of enzymatic degradation of cellulose by application of mixed enzyme systems of different fungal origin (1985)
    Berlin : Wiley-Blackwell
    Acta Biotechnologica 5 (1985), S. 27-33 
    Details
    ISSN: 0138-4988
    Keywords: Life Sciences ; Life Sciences (general)
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Process Engineering, Biotechnology, Nutrition Technology
    Notes: Individual culture supernatants of six cellulolytic fungi and their mixed enzyme systems were compared in hydrolysis of pure celluloses and cellulose-rich wastes. It has been observed that the hydrolysis rate of pure cellulosie substances in general increased by mixed enzymes as compared to the enzymes supernatant derived from only one microbial source. This effect was particularly high when Trichoderma and Penicillium enzyme systems were operated together.
    Additional Material: 7 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/abio.370050108
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  • 6
    Electronic Resource
    Electronic Resource
    Oszillierende-fed-batch-Technik bei der Cellulasegewinnung (1988)
    Berlin : Wiley-Blackwell
    Acta Biotechnologica 8 (1988), S. 285-289 
    Details
    ISSN: 0138-4988
    Keywords: Life Sciences ; Life Sciences (general)
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Process Engineering, Biotechnology, Nutrition Technology
    Notes: From different fungal genera some mutant strains were selected which in cellulase formation exhibit reduced catabolite-repression related to several soluble carbon sources. The cellulase production by these mutant strains on the basis of soluble carbon sources is possible if a fed-batch-technique is used for feeding the substrate.The optimum procedure is an oscillating-fed-batch-technique (OFB) with feed-back-controlled intermittent addition of the substrate. The substrate concentration in the medium is adjusted in such a manner to realize oscillations between a limitation for mycelium growth and non-limiting conditions under a substrate concentration which is yet below the repressing concentration for cellulase formation. A suitable feed-back-parameter for the control of substrate addition is the specific CO2-formation of the mycelium.Using OFB the growth in cellulase activity is nearly proportional to the feeded substrate whereas the growth in mycelium is reduced. The productivity of cellulase formation is enhanced in comparison to continuous substrate addition as well as under limiting and non-limiting conditions for growth of mycelium.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/abio.370080323
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  • 7
    Electronic Resource
    Electronic Resource
    Continuous ethanol production by zymomonas mobilis on an industrial scale (1987)
    Berlin : Wiley-Blackwell
    Acta Biotechnologica 7 (1987), S. 307-313 
    Details
    ISSN: 0138-4988
    Keywords: Life Sciences ; Life Sciences (general)
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Process Engineering, Biotechnology, Nutrition Technology
    Notes: The specific growth rate of the ethanol producing bacterium Zymomonas mobilis was lower in the presence of oxygen than under anaerobic conditions. Aerobically, considerable amounts of acetaldehyde and acetic acid were formed in addition to the normal fermentation products, ethanol and carbon dioxide. This bacterium contains considerable amounts of pentacyclic triterpenoids, mainly 1, 2, 3, 4-tetrahydroxypentane-29-hopane. It seems that stability and permeability of the cytoplasmic membrane of this rather ethanol tolerant organism is achieved by the hopanoid content. A continuous culture of Zymomonas mobilis produced 60 g/l ethanol over a test period of 39 days. This strain was used for ethanol production from an enzymatically hydrolyzed wheat starch fraction on an industrial scale of 100 m3.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/abio.370070405
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  • 8
    Electronic Resource
    Electronic Resource
    Wood and cellulosics. Chichester: Ellis Horwood Limited Publishers, 1987. 664 pp., 69.50 £ (1988)
    Berlin : Wiley-Blackwell
    Acta Biotechnologica 8 (1988), S. 283-283 
    Details
    ISSN: 0138-4988
    Keywords: Life Sciences ; Life Sciences (general)
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/abio.370080321
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  • 9
    Electronic Resource
    Electronic Resource
    Leipziger biotechnologiesymposium 1986 (1987)
    Berlin : Wiley-Blackwell
    Acta Biotechnologica 7 (1987), S. 295-297 
    Details
    ISSN: 0138-4988
    Keywords: Life Sciences ; Life Sciences (general)
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/abio.370070402
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  • 10
    Electronic Resource
    Electronic Resource
    Rolle der einzelnen Komponenten des Cellulasekomplexes bei der Hydrolyse unlöslicher Cellulose (1986)
    Berlin : Wiley-Blackwell
    Acta Biotechnologica 6 (1986), S. 369-379 
    Details
    ISSN: 0138-4988
    Keywords: Life Sciences ; Life Sciences (general)
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Process Engineering, Biotechnology, Nutrition Technology
    Notes: The kinetics of the hydrolysis of microcrystalline cellulose (MC) by a Trichoderma reesei cellulase complex and by the individual endoglucanase (pI 4.4-5.2) and cellobiohydrolase (pI 4.0-4.2) has been studied. A flow chart for the enzymatic hydrolysis of the cellulose has been revealed, which formed a basis for a computer simulation of the kinetic regularities observed. As a result of it, the values of the catalytic rate constants for the individual stages of the enzymatic degradation of MC have been calculated. Then, the synergistic behaviour of endoglucanase and cellobiohydrolase in the hydrolysis of MC has been described both quantitatively and graphically. The relative efficiency of the individual stages for the MC hydrolysis in terms of glucose and cellobiose formation for cellulase complexes of various composition has been calculated. It was quantitatively shown that cellobiohydrolase plays the key role in the MC hydrolysis by T. reesei cellulase preparations, because it gives up to 80% glucose and up to 80-90% cellobiose in the presnce of endoglucanase which in turn plays a relatively minor role in a direct formation of both soluble products of the hydrolysis.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/abio.370060412
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