S4 - AB-INITIO STUDY

被引:27
作者
KAO, J
机构
[1] AUSTRALIAN NATL UNIV,RES SCH CHEM,CANBERRA 2600,ACT,AUSTRALIA
[2] UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30601
关键词
D O I
10.1021/ic50174a053
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
引用
收藏
页码:2085 / 2089
页数:5
相关论文
共 42 条
[1]   CONFORMATIONAL-ANALYSIS .111. CALCULATION OF STRUCTURES AND ENERGIES OF DISULFIDES BY MOLECULAR MECHANICS METHOD [J].
ALLINGER, NL ;
HICKEY, MJ ;
KAO, J .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (10) :2741-2745
[2]   CONFORMATIONAL-ANALYSIS .117. METHYL-ETHYL-DISULFIDE - MOLECULAR MECHANICS AND MOLECULAR-ORBITAL CALCULATIONS [J].
ALLINGER, NL ;
KAO, J ;
CHANG, HM ;
BOYD, DB .
TETRAHEDRON, 1976, 32 (23) :2867-2873
[3]   EQUILIBRIUM COMPOSITION OF SULFUR VAPOR [J].
BERKOWITZ, J ;
MARQUART, JR .
JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (02) :275-&
[4]   IRRELEVANCE OF D-ORBITAL CONJUGATION .1. ALPHA-THIOCARBANION - COMPARATIVE QUANTUM CHEMICAL STUDY OF STATIC AND DYNAMIC PROPERTIES AND PROTON AFFINITIES OF CARBANIONS ADJACENT TO OXYGEN AND TO SULFUR [J].
BERNARDI, F ;
CSIZMADIA, IG ;
MANGINI, A ;
SCHLEGEL, HB ;
WHANGBO, MH ;
WOLFE, S .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (08) :2209-2218
[5]  
BRAUNE H, 1952, Z NATURFORSCH A, V7, P486
[6]   AB-INITIO INVESTIGATION OF S8 [J].
CARLSON, GL ;
PEDERSEN, LG .
JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (11) :4567-4568
[7]   BOND LENGTHS AND THERMAL VIBRATIONS IN ORTHORHOMBIC SULFUR [J].
CARON, A ;
DONOHUE, J .
ACTA CRYSTALLOGRAPHICA, 1965, 18 :562-&
[8]   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
[9]   ZUR THERMODYNAMIK VON SCHWEFELDAMPF - MASSENSPEKTROMETRISCHE UNTERSUCHUNGEN MIT DER ELEKTROCHEMISCHEN KNUDSEN-ZELLE [J].
DETRY, D ;
DROWART, J ;
GOLDFING.P ;
KELLER, H ;
RICKERT, H .
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-FRANKFURT, 1967, 55 (5-6) :314-&
[10]   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-+