COMPUTATIONAL STUDIES OF 1,2-DITHIETE AND DITHIOGLYOXAL

被引:22
作者
GODDARD, JD
机构
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D O I
10.1002/jcc.540080416
中图分类号
O6 [化学];
学科分类号
0703 ;
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页码:389 / 396
页数:8
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共 23 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, 1983, GAUSSIAN 82
[3]   COMPARISON BETWEEN THE S-CIS AND GAUCHE CONFORMERS OF 1,3-BUTADIENE [J].
BREULET, J ;
LEE, TJ ;
SCHAEFER, HF .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (21) :6250-6253
[4]   CONROTATORY AND DISROTATORY STATIONARY-POINTS FOR THE ELECTROCYCLIC ISOMERIZATION OF CYCLOBUTENE TO CIS-BUTADIENE [J].
BREULET, J ;
SCHAEFER, HF .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (05) :1221-1226
[5]  
CAIZAFERRI G, 1975, J CHEM SOC P2, P559
[6]   DIFFICULTIES IN ABINITIO CI CALCULATIONS OF THE HYPERFINE-STRUCTURE OF SMALL RADICALS [J].
FELLER, D ;
DAVIDSON, ER .
THEORETICA CHIMICA ACTA, 1985, 68 (01) :57-67
[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]   FEATURES OF THE THIOFORMALDEHYDE POTENTIAL-ENERGY SURFACES [J].
GODDARD, JD .
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1985, 63 (07) :1910-1917
[9]  
GODDARD JD, UNPUB
[10]   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