Abstract
The incorporation of the sum of interatomic angle distortion ΣΔθ, the sum of bond force angle distortion ΣΔβ, the C-C-C bond angle θccc and the s-character of C-H bonds has improved the prediction of 13C-H coupling constants, JCH. of strained organic molecules to average deviations of less than 2.0 Hz from experimental values.
Original language | English |
---|---|
Pages (from-to) | 156-157 |
Number of pages | 2 |
Journal | Journal of Chemical Research - Part S |
Issue number | 3 |
DOIs | |
State | Published - 1998 |