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  • 1990-1994  (2)
  • 1980-1984
  • Alkylammonium salts  (1)
  • Biochemistry  (1)
  • 1
    Electronic Resource
    Electronic Resource
    Conformational preferences of XONO2 systems (X = H, F, Cl, CH3) from ab initio techniques (1991)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 12 (1991), S. 565-574 
    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: Ab initio SCF and MP2 methods have been used to calculate the geometries and relative energies of both planar and nonplanar rotamers of several nitrates with a DZP basis set. The planar arrangement of atoms is found to be the lower energy configuration in all cases. The interconversion between rotamers is analyzed by partitioning the contributions to the total SCF energy in a variety of ways.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jcc.540120506
    Library Location Call Number Volume/Issue/Year Availability
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Carbon-13 and related NMR chemical shifts in alkylammonium and alkylphosphonium salts (1990)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 28 (1990), S. 711-714 
    Details
    ISSN: 0749-1581
    Keywords: Alkylammonium salts ; Alkylphosphonium salts ; Iron-sulphur cluster ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The 13C NMR chemical shifts of the α-carbon atoms in cations [NR4]+, [NR3CH2Ph]+ and [PR4]+ [R = Me, Et, Prn, Bun or Pen (n-pentyl)] are found at anomalously high field in comparison with the corresponding shifts in RCl or RNH2. This is ascribed in part to the effect of the positive charge. The effect is detectable but less pronounced with β-carbon atoms, but is not detectable in subsequent carbon atoms in longer alkyl chains.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1260280810
    Library Location Call Number Volume/Issue/Year Availability
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    Paper (German National Licenses)
    Fulltext
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