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- [41] RELATIVISTIC SELF-CONSISTENT MOLECULAR-ORBITAL CALCULATION FOR UF6CHEMISTRY LETTERS, 1977, (02) : 109 - 112KIM, BADACHI, HIMOTO, S
- [43] SELF-CONSISTENT MOLECULAR ORBITAL CALCULATIONS ON ORGANOBORON COMPOUNDS .I. HALOGENOVINYLBORANESTHEORETICA CHIMICA ACTA, 1966, 4 (04): : 352 - +ARMSTRONG, DRPERKINS, PG
- [44] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .17. GEOMETRIES AND BINDING-ENERGIES OF 2ND-ROW MOLECULES - COMPARISON OF 3 BASIS SETSJOURNAL OF CHEMICAL PHYSICS, 1976, 64 (12): : 5142 - 5151COLLINS, JBSCHLEYER, PVBINKLEY, JSPOPLE, JA
- [45] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .24. SUPPLEMENTED SMALL SPLIT-VALENCE BASIS-SETS FOR 2ND-ROW ELEMENTSJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (19) : 5039 - 5048PIETRO, WJFRANCL, MMHEHRE, WJDEFREES, DJPOPLE, JABINKLEY, JS
- [46] EXTENDED BASIS SET STUDIES OF HYDROCARBON MOLECULAR-ORBITAL ENERGIESCHEMICAL PHYSICS LETTERS, 1975, 36 (01) : 1 - 5BINKLEY, JSPOPLE, JAHEHRE, WJ
- [48] 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
- [49] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .18. CONSTRAINTS AND STABILITY IN HARTREE-FOCK THEORYJOURNAL OF CHEMICAL PHYSICS, 1977, 66 (07): : 3045 - 3050SEEGER, RPOPLE, JA
- [50] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .23. A POLARIZATION-TYPE BASIS SET FOR 2ND-ROW ELEMENTSJOURNAL OF CHEMICAL PHYSICS, 1982, 77 (07): : 3654 - 3665FRANCL, MMPIETRO, WJHEHRE, WJBINKLEY, JSGORDON, MSDEFREES, DJPOPLE, JA