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  • 1980-1984  (4)
  • Analytical Chemistry and Spectroscopy  (3)
  • Engineering General  (1)
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  • 1
    Electronic Resource
    Electronic Resource
    Solvent effects on the nitrogen screening of some nitroalkanes (1981)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 16 (1981), S. 57-59 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: High precision 14N screening measurements are presented for some nitroalkanes. The screening increases as the dielectric constant of the solvent decreases in all cases considered. The β effect on the nitrogen screening is found to be largely independent of solvent, and is thus an intrinsic property of the nitroalkanes. Good agreement is obtained between the observed solvent effects on nitrogen screening and those calculated by the SOS procedure using INDO/S parameters. It is concluded that the measured nitrogen screening changes monitor the electronic changes which occur in the nitroalkanes as the medium is changed.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270160115
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Some calculations of solvent effects on 17O and 19F chemical shifts (1980)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 14 (1980), S. 92-97 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Sum-over-states perturbation and finite perturbation calculations, within the ‘Solvaton’ model, are presented for the variation of some 17O and 19F chemical shifts as a function of the dielectric constant of the medium. In general, the nuclear screening and charge are predicted to increase as the dielectric constant increases. The effects of hydrogen bonding are included by means of minimum energy dimer models in some of the sum-over-states calculations.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270140204
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Some INDO/S—SOS calculations of the effects of hydrogen bonding on the nitrogen shielding of some heterocycles (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 501-504 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Some INDO/S parameterized SOS shielding calculations are reported for the nitrogen nuclei of some N-heterocycles. Hydrogen bonding with H2O and CF3CH2OH is incorporated in a supermolecule approach. The calculated effects of hydrogen bonding are found to be in satisfactory agreement with observed nitrogen shielding variations upon a change of solvent.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210810
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    Paper (German National Licenses)
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  • 4
    Electronic Resource
    Electronic Resource
    Optimal shape remodelling of linearly elastic plates using finite element methods (1984)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 20 (1984), S. 1823-1840 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The optimality conditions for the optimal shape remodelling of linearly elastic plates are obtained by introducing the total variation of a function defined on a variable domain, although the variation of a function has been taken on a fixed domain in most literature on calculus of variations. Using these optimality conditions, a solution scheme involving an iterative algorithm is proposed, together with several numerical examples.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620201006
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    Paper (German National Licenses)
    Fulltext
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