Artículos de revistas
Dipole Moment Derivatives, Polar Tensors, And Effective Charges Of Ammonia And Phosphine
Registro en:
Journal Of Physical Chemistry. , v. 80, n. 25, p. 2768 - 2770, 1976.
223654
2-s2.0-0011118729
Autor
Bassi A.B.M.S.
Bruns R.E.
Institución
Resumen
Preferred signs for the dipole moment derivatives of phosphine are selected on the basis of comparison of CNDO calculated values with the experimental alternatives. The atomic polar tensors, effective charges, mean dipole moment derivatives, and anisotropies for the preferred experimental values of this molecule and of ammonia are presented. A recently suggested criterion for the selection of preferred signs based on effective charge values is found to be valid for phosphine but not for ammonia. 80 25 2768 2770