AB-INITIO MO-SCF STUDY OF ETHYLENE EPISULFIDE, EPISULFOXIDE, AND EPISULFONE

被引：67
作者：
ROHMER, MM
ROOS, B
机构：
[1] UNIV LOUIS PASTEUR, CNRS 139, STRASBOURG, FRANCE
[2] UNIV STOCKHOLM, INST THEORET PHYS, S-11346 STOCKHOLM, SWEDEN
来源：
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1975年 / 97卷 / 08期
关键词：
D O I：
10.1021/ja00841a006
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
引用
收藏
页码：2025 / 2030
页数：6
相关论文
共 23 条
[1]   AB-INITIO LCAO-MO-SCF STUDY OF ELECTRONIC-STRUCTURE OF PHOSPHIRANE AND THIIRANE [J].
ABSAR, I ;
SCHAAD, LJ ;
VANWAZER, JR .
THEORETICA CHIMICA ACTA, 1973, 29 (02) :173-181
[2]  
ALMLOF J, 1972, USIP7209 U STOCKH I
[3]   MOLECULAR SCF CALCULATIONS FOR GROUND STATE OF SOME 3-MEMBERED RING MOLECULES - (CH2)3, (CH2)2NH, (CH2)2NH2+, (CH2)2O, (CH2)2S, (CH)2CH2, AND N2CH2 [J].
BONACCOR.R ;
SCROCCO, E ;
TOMASI, J .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (10) :5270-&
[4]   THE MICROWAVE SPECTRA, STRUCTURE, AND DIPOLE MOMENTS OF ETHYLENE OXIDE AND ETHYLENE SULFIDE [J].
BOYD, AW ;
MYERS, RJ ;
GWINN, WD ;
LEVAN, WI .
JOURNAL OF CHEMICAL PHYSICS, 1951, 19 (06) :676-685
[5]   NON EMPIRICAL LCAO-MO-SCF CALCULATIONS WITH GAUSSIAN TYPE FUNCTIONS ON SOME 3 MEMBERED RING HETEROCYCLES .2. ENERGIES AND POPULATION ANALYSIS [J].
CLARK, DT .
THEORETICA CHIMICA ACTA, 1969, 15 (03) :225-&
[6]  
COOPER DG, 1972, J AM CHEM SOC, V94, P9246
[7]   PHOTOELECTRON SPECTRUM OF ETHYLENE SULFIDE [J].
FROST, DC ;
HERRING, FG ;
KATRIB, A ;
MCDOWELL, CA .
CHEMICAL PHYSICS LETTERS, 1973, 20 (05) :401-403
[8]   MO-SCF-LCAO STUDIES OF SULFUR-COMPOUNDS .3. THIOPHENE [J].
GELIUS, U ;
SIEGBAHN, P ;
ROOS, B .
THEORETICA CHIMICA ACTA, 1972, 27 (03) :171-+
[9]   Ab initio MO SCF calculations of ESCA shifts in sulphur-containing molecules [J].
Gelius, U. ;
Roos, B. ;
Siegbahn, P. .
CHEMICAL PHYSICS LETTERS, 1970, 4 (08) :471-475
[10]   MO-SCF-LCAO STUDIES OF SULPHUR COMPOUNDS .2. SULPHATE ION [J].
GELIUS, U ;
ROOS, B ;
SIEGBAHN, P .
THEORETICA CHIMICA ACTA, 1971, 23 (01) :59-&
123