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  • Articles: DFG German National Licenses  (4)
  • Electronic Resource  (4)
  • 2005-2009
  • 1980-1984  (2)
  • 1975-1979  (2)
  • Computational Chemistry and Molecular Modeling  (3)
  • Mitochondrial rRNA  (1)
  • 1
    Electronic Resource
    Electronic Resource
    Temperature-sensitive nuclear mutants of Neurospora crassa deficient in mitochondrial ribosomes (1979)
    Springer
    Current genetics 1 (1979), S. 1-7 
    Details
    ISSN: 1432-0983
    Keywords: Mitochondrial rRNA ; Nuclear/mitochondrial interactions
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Summary We have isolated two non-allelic nuclear mutants of Neurospora crassa that are temperature-sensitive for the production of cytochromes aa 3 and b. When grown at 23 °C the mutants are virtually indistinguishable from the parent wild-type strains. When grown at 41 °C the mutants have large amounts of KCN-insensitive respiration and lack cytochromes aa 3 and b. Further examination of the mutants revealed that they were extremely deficient in their capacity for mitochondrial protein synthesis when grown at 41 °C. This protein synthesis deficiency appears to be related to a virtual absence of both small and large mitochondrial ribosomal subunits following growth at 41 °C. Examination of the mitochondrial RNAs of the mutants suggests that mitochondrial rRNAs are synthesized in greatly reduced amounts or that they are misprocessed when these mutants are grown at the non-permissive temperature.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00413301
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Evaluation of GTO molecular integrals (1983)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 23 (1983), S. 1469-1478 
    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: Methods for evaluating the function Fm(t) occurring in molecular integrals over Gaussian-type orbitals are reviewed and extended. Formulas based on Bessel function and continued-fraction expansions are analyzed. The recommended evaluation procedures, embodied in a portable computer program, involve Padé approximations for various argument intervals and use recursion in m. The program is economical in storage requirements and faster than those in current use.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560230429
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Hartree-like methods in electronic structure theory (1978)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 13 (1978), S. 189-198 
    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 consider the “Hartree Problem,” here defined as the problem of finding the orthogonal one-electron states which in a single determinant minimize the electronic energy, excluding exchange contributions. These states may provide a useful basis for correlation-energy studies. It is shown how the “Hartree Problem,” although superficially not of pseudoeigenvalue form, can nevertheless be cast in such a form and solved by an iterative diagonalization process.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560130204
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    Paper (German National Licenses)
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  • 4
    Electronic Resource
    Electronic Resource
    Evaluation of computational aspects of a modified CS-LCAO-SCF-CO strategy for electronic structure calculations of extended model chains (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 141-152 
    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 is made of the mathematical and computational implications of a recently proposed scheme to calculate the electronic structure of chainlike systems without explicit use of the LCAO density matrix elements. The infinite chain of hydrogen atoms is chosen as a simple test case illustrating the underlying difficulties associated with the scheme. It turns out that the positive features that have motivated the development of this approach do not balance the numerical difficulties. It seems unlikely that, in routine applications, the new strategy will become a real competitor to the existing programs.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260817
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    Paper (German National Licenses)
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