Issue 0, 1973

CNDO/2 calculation of the absolute infra-red intensities of a series of monosubstituted ethylenes

Abstract

Absolute infra-red intensities have been calculated for the νCC absorption of a series of mono-substituted ethylenes using the CNDO/2 MO method. These values are in close agreement with observed or predicted values.

Article information

Article type
Paper

J. Chem. Soc., Faraday Trans. 2, 1973,69, 349-354

CNDO/2 calculation of the absolute infra-red intensities of a series of monosubstituted ethylenes

R. T. C. Brownlee, J. Munday, R. D. Topsom and A. R. Katritzky, J. Chem. Soc., Faraday Trans. 2, 1973, 69, 349 DOI: 10.1039/F29736900349

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