The zero point vibrational contribution to the13C–H spin–spin coupling constant in methane. An ab initio result
- 1 January 1986
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Chemical Communications
- No. 1,p. 57-58
- https://doi.org/10.1039/c39860000057
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.Keywords
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