ABINITIO STRUCTURES OF PHOSPHORUS-ACIDS AND ESTERS .1. PHOSPHINIC, PHOSPHONIC, AND PHOSPHORIC-ACIDS

被引:50
作者
EWIG, CS
VANWAZER, JR
机构
关键词
D O I
10.1021/ja00293a028
中图分类号
O6 [化学];
学科分类号
0703 ;
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页码:1965 / 1971
页数:7
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共 24 条
[1]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J].
BINKLEY, JS ;
POPLE, JA ;
HEHRE, WJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) :939-947
[2]  
BINKLEY JS, GAUSSIAN 80 QUANTUM
[3]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .17. GEOMETRIES AND BINDING-ENERGIES OF 2ND-ROW MOLECULES - COMPARISON OF 3 BASIS SETS [J].
COLLINS, JB ;
SCHLEYER, PV ;
BINKLEY, JS ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (12) :5142-5151
[4]  
Corbridge D. E. C., 1974, STRUCTURAL CHEM PHOS
[5]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].
DITCHFIELD, R ;
HEHRE, WJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+
[6]   POTASSIUM FLUORIDE AND PHOSPHORUS-ACID - ABINITIO CALCULATIONS AND SPECTROSCOPIC INVESTIGATIONS [J].
EMSLEY, J ;
LUCAS, J ;
PARKER, RJ ;
OVERILL, RE .
POLYHEDRON, 1983, 2 (01) :19-24
[7]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .23. A POLARIZATION-TYPE BASIS SET FOR 2ND-ROW ELEMENTS [J].
FRANCL, MM ;
PIETRO, WJ ;
HEHRE, WJ ;
BINKLEY, JS ;
GORDON, MS ;
DEFREES, DJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (07) :3654-3665
[8]   THE CRYSTAL STRUCTURE OF PHOSPHOROUS ACID [J].
FURBERG, S ;
LANDMARK, P .
ACTA CHEMICA SCANDINAVICA, 1957, 11 (09) :1505-1511
[9]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .22. SMALL SPLIT-VALENCE BASIS-SETS FOR 2ND-ROW ELEMENTS [J].
GORDON, MS ;
BINKLEY, JS ;
POPLE, JA ;
PIETRO, WJ ;
HEHRE, WJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (10) :2797-2803
[10]   CONFORMATIONAL-ANALYSIS OF H3PO4, H2PO4-, HPO4(2-), AND RELATED MODEL COMPOUNDS [J].
HAYES, DM ;
KOLLMAN, PA ;
ROTHENBERG, S .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (07) :2150-2154