Issue 1, 1986

The zero point vibrational contribution to the 13C–H spin–spin coupling constant in methane. An ab initio result

Abstract

A large basis set ab initio quantum mechanical calculation reveals that the experimental value of 125.4 Hz for the 13C–H coupling constant in methane contains a zero point vibrational contribution of about 7 Hz.

Article information

Article type
Paper

J. Chem. Soc., Chem. Commun., 1986, 57-58

The zero point vibrational contribution to the 13C–H spin–spin coupling constant in methane. An ab initio result

P. Lazzeretti, R. Zanasi and W. T. Raynes, J. Chem. Soc., Chem. Commun., 1986, 57 DOI: 10.1039/C39860000057

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