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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 90 (1989), S. 6371-6377 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: An expression has been derived for the analytical evaluation of the energy gradient within the linear combination of Gaussian-type orbitals—local spin density method. This expression is valid for any exchange-correlation energy functional which can be represented in a density gradient expansion. In practice, because the exchange-correlation terms are fitted with auxiliary functions, one has to introduce an approximation. Results are reported of tests on diatomics that show that it is possible to attain a typical accuracy of ±0.01 a.u. on equilibrium distances, relative to the energy minimum. The formulas for molecular integral derivatives that we implemented are based on the highly efficient recurrence formulas of Obara and Saika. We report here an additional formula for angular momentum transfer which is very useful for efficient programming of the gradient. In all cases studied, the time required to compute the gradient is a fraction of the time spent to solve the self-consistent-field Kohn–Sham equations.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Palo Alto, Calif. : Annual Reviews
    Annual Review of Earth and Planetary Sciences 17 (1989), S. 13-53 
    ISSN: 0084-6597
    Source: Annual Reviews Electronic Back Volume Collection 1932-2001ff
    Topics: Geosciences , Physics
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Oxford, UK : Blackwell Publishing Ltd
    Annals of the New York Academy of Sciences 486 (1986), S. 0 
    ISSN: 1749-6632
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Natural Sciences in General
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Oxford, UK : Blackwell Publishing Ltd
    Annals of the New York Academy of Sciences 478 (1986), S. 0 
    ISSN: 1749-6632
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Natural Sciences in General
    Type of Medium: Electronic Resource
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  • 5
    ISSN: 1432-1793
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract In our study of the condition of larval cod (Gadus morhua) collected off southwest Nova Scotia in winter-spring, 1983, we (1) examined relationships between larval condition and ambient environmental conditions, and (2) compared the use of simple morphometric indices of larval condition and of multivariate statistics to obtain information relevant to larval condition. Twelve indices of relative condition were obtained, based upon seven measurements made on each larva, and a principal component (PC) analysis was performed on these condition indices. Most condition indices and the first PC were significantly correlated with numbers of nauplii and of zooplankters per m3 in the water column, which are direct measures of food available to the larvae, but not to less direct measures of environmental quality for the larvae, such as plankton displacement volume or chlorophyll concentration. Conventional indices based upon relations of dry weight or body height at the anus to length were most sensitive to environmental conditions. There was no apparent advantage in performing a multivariate analysis based upon a larger series of measurements.
    Type of Medium: Electronic Resource
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  • 6
    ISSN: 1432-1211
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Abstract Previous work has demonstrated linkage between Ly-6, H-30, and a locus, Ril-1, that affects susceptibility to radiation-induced leukemia. Results of preliminary linkage analyses suggested further that the cluster might be linked to Ly-11 on the proximal portion of mouse chromosome 2. Using molecular probes to examine somatic cell lines and recombinant inbred and congenic strains of mice, we have re-evaluated these linkage relationships. A cloned genomic DNA fragment derived from a retroviral site has been used to define a novel locus, Pol-5, that is tightly linked to both H-30 and Ril-1 as shown by analysis of the B6.C-H-30 c congenic mouse strain. Following the segregation of the Pol-5 mouse-specific DNA fragment in a series of somatic cell hybrids carrying various combinations of mouse chromosomes on a rat or Chinese hamster background mapped Pol-5 to mouse chromosome 15. During the course of these studies, restriction fragment length polymorphisms were defined associated with several loci, including Pol-5, Ly-6, Sis, Ins-3, Krt-1, Int-1, and Gdc-1. Three of these loci, Sis, Int-1, and Gdc-1, have been previously mapped to chromosome 15 by others using somatic cell hybrids or isoenzyme analyses. Following the inheritance of these eight loci in recombinant inbred strains of mice allowed the definition of a linkage group on the chromosome with the order Ly-6-Ril-1--Sis--H-30--Pol-5--Ins-3--Krt-1--Int-1--Gdc-1. Analyses of alleles inherited as passengers in B6.C-H-30 c, C3H.B-Ly-6 b, and C57BL/6By-Eh/+ congenic mouse strains and in situ hybridization experiments support the above gene order and indicate further that the cluster is located on distal chromosome 15, with Ly-6 and Sis near Eh.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    Springer
    Somatic cell and molecular genetics 12 (1986), S. 641-648 
    ISSN: 1572-9931
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Abstract The murine gene encoding dihydrofolate reductase (DHFR) has been localized to a particular mouse chromosome by complementation mapping. Microcells prepared from diploid mouse fibroblasts were fused with mutant hamster cells lacking the dihydrofolate reductase gene (Dhfr),and DHFR + microcell hybrids were selected in medium lacking purines and pyrimidines. The complemented hybrids expressed wild-type levels of DHFR enzyme activity, and selectively retained a single mouse chromosome—chromosome 13. Genomic Southern blots of DNAs prepared from these hybrids and from an independently derived collection of clones isolated without selection on the DHFR phenotype confirmed the assignment of murine Dhfrgene sequences to chromosome 13. This assignment provides further evidence for the existence of genetic homology between regions of mouse chromosome 13 and human chromosome 5. In support of this view, we show that the gene encoding hexosamindase B, a chromosome 5 marker in man, also maps to mouse chromosome 13.
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    Springer
    Somatic cell and molecular genetics 15 (1989), S. 359-366 
    ISSN: 1572-9931
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Abstract The genes encoding intermediate filament (IF) proteins are expressed in a cell-lineage restricted fashion. To analyze the regulation of such genes, we studied cytokeratin and vimentin expression in hepatoma × fibroblast hybrids. These hybrids continued to express both hepatoma cell-derived cytokeratins and fibroblast-specific vimentin. Furthermore, the cytokeratin subunits that were produced were exclusively of rat hepatoma origin. Thus, IF protein genes were neither extinguished nor activated in cell hybrids, providing evidence for regulation in cis.This behavior contrasts sharply with that of most tissue-specific genes, which tend to be regulated in transin hybrid cells.
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    Springer
    Somatic cell and molecular genetics 11 (1985), S. 633-638 
    ISSN: 1572-9931
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Abstract The structural gene Pck-1, encoding cytosolic phosphoenolpyruvate carboxykinase (GTP) (PEPCK; EC 4.1.1.32), has been assigned to mouse chromosome 2. This assignment was made based on genomic Southern transfer of rat-mouse and hamster-mouse hybrid DNAs using a rat kidney cloned cDNA of the PEPCK gene as a probe. Conclusive evidence for the cosegregation of the PEPCK gene with mouse chromosome 2 was obtained using a monochromosomal microcell hybrid that selectively retained a Robertsonian translocation between mouse autosomes 2 and 8 and its back-selected hybrid clone.
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 29 (1986), S. 1077-1089 
    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: Results of self-consistent field, local spin density, scattered wave calculations are reported for nickel clusters of 10, 13, and 14 atoms and these clusters interacting with one or two chemisorbed hydrogen atoms. The pure nickel clusters all have a reasonable average atomic magnetic moment (the average over all the clusters is 0.66µB) and the addition of hydrogen reduces this moment in each case. The reduction of magnetic moment is clearly larger on the nickel atoms that are nearest to hydrogen but there is also a noticeable change in the moments of the other atoms of the clusters. Three factors, of varying importance for the different clusters, contribute to the changes in the overall and local magnetic moments: (i) The extra electron brought in with the hydrogen goes into a down-spin Ni d level, reducing the moment. (ii) The reelectron duced moment is accompained by a reduced exchange splitting and consequently some up-spin d electrons, not directly involved in the bonding to hydrogen, are transferred to lower lying down-spin d orbitals. (iii) For atoms close to the adsorbate, d character in the local density of states is pushed above the Fermi level through antibonding interactions with the hydrogen, further reducing the moments of these atoms.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
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