共 50 条
- [42] AB-INITIO VARIATIONAL TRANSITION-STATE THEORY CALCULATIONS FOR THE O+NH2 HYDROGEN ABSTRACTION REACTION ON THE 4A' AND 4A'' POTENTIAL-ENERGY SURFACESJOURNAL OF CHEMICAL PHYSICS, 1995, 102 (15): : 6121 - 6127DUAN, XFPAGE, M
- [43] Interaction of C2H with molecular hydrogen: Ab initio potential energy surface and scattering calculationsJOURNAL OF CHEMICAL PHYSICS, 2018, 148 (02):Dagdigian, Paul J.
- [44] THE CALCULATION OF HIGH-TEMPERATURE REACTION-RATE CONSTANTS USING ABINITIO POTENTIAL-ENERGY SURFACES - EXAMPLES FOR AIR AND HYDROGEN-AIR SYSTEMSABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1989, 198 : 16 - FUELJAFFE, RLDUCHOVIC, RJWALCH, SP
- [45] INVESTIGATION OF FRAGMENTS OF POTENTIAL-ENERGY SURFACES OF MOLECULAR-SYSTEMS OF THE CH2CL-CH2CHX TYPE BY THE MNDO METHODJOURNAL OF STRUCTURAL CHEMISTRY, 1990, 31 (01) : 149 - 152CHISTYAKOV, ALTERENTEV, ABSTANKEVICH, IV
- [46] Ab initio molecular orbital calculations of the potential energy surfaces for the N(2D)+CH4 reactionJOURNAL OF PHYSICAL CHEMISTRY A, 1998, 102 (01): : 254 - 259Kurosaki, YTakayanagi, TSato, KTsunashima, S
- [48] A THEORETICAL INVESTIGATION OF THE 2 LOWEST POTENTIAL-ENERGY SURFACES FOR THE REACTION C(P-3)+NO((2)PI) (VOL 234, PG 382, 1995)CHEMICAL PHYSICS LETTERS, 1995, 236 (4-5) : 532 - 532PERSSON, BJROOS, BOSIMONSON, M
- [49] INELASTIC-SCATTERING CALCULATIONS IN POLYATOMIC SYSTEMS USING AN ABINITIO INTERMOLECULAR POTENTIAL-ENERGY SURFACE .2. ROTATIONAL ENERGY-TRANSFER IN CO2-H2 COLLISIONSJOURNAL OF CHEMICAL PHYSICS, 1980, 72 (05): : 3163 - 3178SATHYAMURTHY, NRAFF, LM
- [50] NONPARAMETERIZED MOLECULAR-ORBITAL CALCULATIONS AND PHOTOELECTRON-SPECTROSCOPY OF OPEN-SHELL AND CLOSED-SHELL M(IV) M(ETA-5-C5H5)2L2 COMPLEXESJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (22) : 6433 - 6441PETERSEN, JLLICHTENBERGER, DLFENSKE, RFDAHL, LF