共 50 条
- [41] An efficient molecular orbital approach for self-consistent calculations of molecular junctionsJOURNAL OF CHEMICAL PHYSICS, 2006, 125 (19):Nakamura, HisaoYamashita, Koichi
- [42] CALCULATION OF ELECTRONIC-STRUCTURE OF BORANES BY SELF-CONSISTENT MOLECULAR-ORBITAL METHOD .3. EXCITED-STATES OF CAGE SPECIESJOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1973, (21): : 2277 - 2280ARMSTRON.DRPERKINS, PGSTEWART, JJP
- [43] MOLECULAR-ORBITAL THEORY FOR INFIINITE SYSTEMS - SELF-CONSISTENT FIELD PERTURBATION TREATMENT OF HYDROGEN-BONDED MOLECULESJOURNAL OF CHEMICAL PHYSICS, 1971, 55 (08): : 3743 - +BACON, JSANTRY, FP
- [44] SELF-CONSISTENT MOLECULAR ORBITAL CALCULATIONS ON 18-ANNULENEJOURNAL OF CHEMICAL PHYSICS, 1965, 43 (05): : 1838 - +WEISS, CGOUTERMAN, M
- [45] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .14. EXTENDED GAUSSIAN-TYPE BASES FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC-MOLECULES - INCLUSION OF SECOND ROW ELEMENTSJOURNAL OF CHEMICAL PHYSICS, 1972, 56 (11): : 5255 - &HEHRE, WJLATHAN, WA
- [46] APPLICATION OF THE MOLECULAR-ORBITAL SELF-CONSISTENT-FIELD METHOD TO THE STUDY OF ALPHA-SIJOURNAL DE PHYSIQUE, 1981, 42 (NC4): : 823 - 826SANSORES, LECETINA, EATAGUENAMARTINEZ, J
- [47] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALSJOURNAL OF CHEMICAL PHYSICS, 1969, 51 (06): : 2657 - +HEHRE, WJSTEWART, RFPOPLE, JA
- [49] SELF-CONSISTENT FIELD MOLECULAR-ORBITAL THEORY WITH INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP BASED ON ATOMIC VALENCE STATE CONCEPTBULLETIN DES SOCIETES CHIMIQUES BELGES, 1975, 84 (03): : 145 - 158FIGEYS, HPGEERLINGS, PVANALSENOY, C
- [50] SO-CALLED SELF-CONSISTENT METHOD IN HUCKEL MOLECULAR ORBITAL FORMALISM .I.ZEITSCHRIFT FUR CHEMIE, 1969, 9 (02): : 41 - &SCHOLZ, MHEIDRICH, D