MO-SCF-LCAO STUDIES OF SULPHUR COMPOUNDS .2. SULPHATE ION

被引:50
作者
GELIUS, U
ROOS, B
SIEGBAHN, P
机构
来源
THEORETICA CHIMICA ACTA | 1971年 / 23卷 / 01期
关键词
D O I
10.1007/BF00530200
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
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页码:59 / &
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共 17 条
[1]   ELECTRONIC STRUCTURE OF SULFATE THIOSULFATE AND RELATED IONS .I. CALCULATION OF MOLECULAR ORBITAL ENERGY LEVELS [J].
BISHOP, DM ;
RANDIC, M ;
MORTON, JR .
JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (06) :1880-&
[2]   MOLECULAR ORBITAL ENERGY LEVELS FOR SULFATE ION [J].
BISHOP, DM .
THEORETICA CHIMICA ACTA, 1967, 8 (04) :285-&
[3]   CORRECTION [J].
BISHOP, DM .
JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (04) :1878-&
[4]   APPROXIMATE MOLECULAR ORBITAL THEORY FOR INORGANIC MOLECULES .3. COMPARATIVE CALCULATIONS ON SULPHATE ANION [J].
BROWN, RD ;
ROBY, KR .
THEORETICA CHIMICA ACTA, 1970, 16 (04) :278-+
[5]   AN APPROXIMATE MOLECULAR ORBITAL THEORY OF LARGE MOLECULES . GENERAL FORMALISM AND APPLICATION TO SULPHATE ION AND SULPHUR HEXAFLUORIDE [J].
HILLIER, IH .
JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1969, (06) :878-&
[6]  
HILLIER IH, 1969, CHEM COMMUN, P1181
[7]  
HILLIER IH, 1970, INT J QUANTUM CHEM, V4, P203
[8]   AB initio calculations for the 3d-exponent of phosphorus and sulphur [J].
Keeton, M. ;
Santry, D. P. .
CHEMICAL PHYSICS LETTERS, 1970, 7 (01) :105-106
[10]   MO-SCF-LCAO STUDIES OF SULPHUR COMPOUNDS .1. H2S AND SO2 [J].
ROOS, B ;
SIEGBAHN, P .
THEORETICA CHIMICA ACTA, 1971, 21 (04) :368-&