Vibrational Contributions to Indirect Spin-Spin Coupling Constants Calculated via Variational Anharmonic Approaches.
Zero-point vibrational contributions to indirect spin-spin coupling constants for N 2, CO, HF, H 2O, C 2H 2, and CH 4 are calculated via explicitly anharmonic approaches. Thermal averages of indirect spin-spin coupling constants are calculated for the same set of molecules and for C 2X 4, X = H, F, Cl. Potential energy surfaces have been calculated on a grid of points and analytic representations