共 50 条
- [41] OPTOELECTRONIC PROPERTIES AND 2ND HARMONIC-GENERATION BY DELTA-BOND SEPARATED DONOR-ACCEPTOR MOLECULES ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1991, 202 : 222 - POLY
- [45] DENSITY-MATRIX AVERAGED ATOMIC NATURAL ORBITAL (ANO) BASIS-SETS FOR CORRELATED MOLECULAR WAVE-FUNCTIONS .2. 2ND ROW ATOMS THEORETICA CHIMICA ACTA, 1991, 79 (06): : 419 - 432
- [48] 2ND-ORDER PROPERTIES AND THE ORBITAL MODEL - PERTURBATIONAL APPROACH TO NUCLEAR SPIN-SPIN COUPLING-CONSTANTS IN A SERIES OF RELATED MOLECULES NOUVEAU JOURNAL DE CHIMIE-NEW JOURNAL OF CHEMISTRY, 1979, 3 (03): : 151 - 155
- [49] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .17. GEOMETRIES AND BINDING-ENERGIES OF 2ND-ROW MOLECULES - COMPARISON OF 3 BASIS SETS JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (12): : 5142 - 5151
- [50] Cost effective modeling of spin-coupled molecules: A 2nd order perturbative treatment of orbital relaxation in complete active space spin-flip CI ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013, 246