共 56 条
[3]
Self-consistent-field calculation of Pauli repulsion and dispersion contributions to the solvation free energy in the polarizable continuum model
[J].
JOURNAL OF PHYSICAL CHEMISTRY B,
1997, 101 (06)
:1051-1057
[4]
MCSCF study of the SN2 Menshutkin reaction in aqueous solution within the polarizable continuum model
[J].
JOURNAL OF PHYSICAL CHEMISTRY B,
1998, 102 (16)
:3023-3028
[7]
[Anonymous], 1994, A New Dimension to Quantum Chemistry: Analytic Derivative Methods in Ab Initio Molecular Electronic Structure Theory