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Cndo/2 conformational calculation for conjugated and non-conjugated molecular systems

โœ Scribed by C. Sieiro; P. Gonzalez-Diaz; Y.G. Smeyers


Book ID
103208182
Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
768 KB
Volume
24
Category
Article
ISSN
0022-2860

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A previously published scheme of estimating atomic charges in haloalkanes is extended to include olefines, alcohols amines, acids, ethers, and amides. In the conjugated systems the effects of mesomeric transfer of charge are explicitly included. Generally good agreement with the observed dipole mome