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Calculation of dipole moments of some heterocyclic molecules by the CNDO molecular orbital method

✍ Scribed by N.S. Hush; J.R. Yandle

Publisher: Elsevier Science
Year: 1967
Tongue: English
Weight: 189 KB
Volume: 1
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(67)85086-3

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✦ Synopsis

Dipole moments of furan, pyrrole, pyridine, pyrimidind and pyridazine have been calculated by the CNDO/II approximate SCF molecular orbital method, with experimental or assumed molecular geometry. The absolute vsiues are in good agreement with experimental data.

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