共 50 条
- [24] SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS .6. DIMERS OF BENZENE JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (05): : 1931 - &
- [25] ABINITIO MOLECULAR-ORBITAL CALCULATION AND SEMIEMPIRICAL ANALYSIS OF THE VIBRATIONAL FREQUENCIES AND FORCE-CONSTANTS OF ONF AND FON JOURNAL OF PHYSICAL CHEMISTRY, 1986, 90 (01): : 56 - 61
- [26] SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS .4. SOME METALLOCENES JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (03): : 1104 - +
- [27] TORSIONAL ANGLES IN ALKENYLARENES STUDIED BY SEMIEMPIRICAL MOLECULAR-ORBITAL METHODS JOURNAL OF PHYSICAL CHEMISTRY, 1991, 95 (23): : 9208 - 9210
- [28] RAPID GEOMETRY OPTIMIZATION USING SEMIEMPIRICAL MOLECULAR-ORBITAL THEORY ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1992, 204 : 32 - COMP
- [29] IMPORTANCE OF DOUBLY EXCITED CONFIGURATIONS IN SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (10): : 4151 - &
- [30] SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS ON BAMBUTEROL, AN INHIBITOR OF HUMAN BUTYRYLCHOLINESTERASE JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1994, 120 (03): : 277 - 285