共 50 条
- [31] D-ORBITAL PARTICIPATION IN BONDING IN MOLECULES CONTAINING PHOSPHORUS, SULPHUR, AND CHLORINE STUDIED BY AB-INITIO SCF-MO CALCULATIONS JOURNAL OF THE CHEMICAL SOCIETY D-CHEMICAL COMMUNICATIONS, 1970, (18): : 1183 - &
- [37] AB-INITIO VERTICAL IONIZATION-POTENTIALS OF TRANS-BUTADIENE AND CYCLOBUTADIENE USING THE EFFECTIVE VALENCE SHELL HAMILTONIAN METHOD JOURNAL OF PHYSICAL CHEMISTRY, 1994, 98 (13): : 3467 - 3471
- [38] Prototropic equilibria in 4-thiouracil: A combined spectroscopic and ab initio SCF-MO investigation JOURNAL OF PHYSICAL CHEMISTRY A, 1998, 102 (12): : 2194 - 2200
- [39] Ab initio SCF-MO and molecular dynamics modeling of nanogenerator and nanologic circuit molecules. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1998, 215 : U377 - U377
- [40] INTERMOLECULAR POTENTIALS FOR AMMONIA BASED ON SCF-MO CALCULATIONS JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (02): : 1211 - 1216