共 50 条
- [31] FORMULATION OF THE TOTAL MOLECULAR-ENERGY IN SEMI-EMPIRICAL SCF-MO METHOD WITH OVERLAP - APPLICATION TO THE DETERMINATION OF THE APPROXIMATE EQUILIBRIUM GEOMETRYCOMPTES RENDUS DE L ACADEMIE DES SCIENCES SERIE II, 1983, 296 (19): : 1481 - 1484BARBIER, CDELRE, G
- [32] SEMI-EMPIRICAL MC-SCF CALCULATIONS - PHYSABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1970, (FEB): : 71 - &HINZE, JLIE, G
- [34] SEMI-EMPIRICAL SCF MO METHOD FOR SYSTEMS INCLUDING ALL VALENCE ELECTRONSBULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1970, 43 (06) : 1642 - +HIROTA, FNAGAKURA, S
- [35] AN EMPIRICAL-METHOD FOR THE EVALUATION OF ELECTRON-AFFINITIESJOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1991, (01): : 23 - 24CAMPOS, IPDREZENDE, DBMARCONDES, MERTOSCANO, VG
- [36] HEATS OF FORMATION AND STRAIN ENERGIES FOR [CH]8 ISOMERS CALCULATED BY ALL-VALENCE-ELECTRON SEMI-EMPIRICAL SCF-MO THEORIESJOURNAL OF THE CHEMICAL SOCIETY D-CHEMICAL COMMUNICATIONS, 1971, (21): : 1408 - &IWAMURA, HMORIO, KKUNII, TL
- [37] SEMI-EMPIRICAL UNRESTRICTED SCF-MO TREATMENT FOR VALENCE ELECTRON SYSTEMS .2. ANGULAR DEPENDENCE OF METHYL GROUP HFS CONSTANTSBULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1970, 43 (03) : 698 - +NAKATSUJI, HKATO, HYONEZAWA, T
- [38] A semi-empirical SCF-MO study on the base-pairing properties of 8-oxopurines: Significance for mutagenicityJOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1997, (03): : 621 - 626Venkateswarlu, DLyngdoh, RHDBansal, M
- [39] RADICAL IONS DERIVED FROM HYDRIDES AND METHYLS OF ALUMINUM, SILICON AND PHOSPHORUS - A SEMI-EMPIRICAL SCF-MO STUDYINORGANICA CHIMICA ACTA-ARTICLES AND LETTERS, 1985, 97 (02): : 173 - 178GLIDEWELL, C
- [40] SINDO1 - A SEMI-EMPIRICAL SCF-MO METHOD FOR MOLECULAR-BINDING ENERGY AND GEOMETRY .1. APPROXIMATIONS AND PARAMETRIZATIONTHEORETICA CHIMICA ACTA, 1980, 57 (02): : 95 - 106NANDA, DNJUG, K