CNDO/2 calculations concerning the gernanium-carbon double bond

B. G. Gowenlock, J. A. Hunter

Research output: Contribution to journalArticle

Abstract

By suitable choice of parameters, the CNDO/2 method of calculation of molecular properties has been extended to include germanium atoms. Calculations have been made of energy-minimising bond lengths for germaethylene and fluorinated germaethylenes and of various properties of these optimised geometry models. These suggest that the germanium-carbon double bond would have somewhat unusual characteristics. © 1976.

Original languageEnglish
Pages (from-to)171-178
Number of pages8
JournalJournal of Organometallic Chemistry
Volume111
Issue number2
Publication statusPublished - 11 May 1976

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