THE BARRIER TO INTERNAL-ROTATION IN ETHANE

被引:110
作者
PITZER, RM
机构
关键词
D O I
10.1021/ar00090a004
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:207 / 210
页数:4
相关论文
共 65 条
[1]  
BARNETT MP, 1963, METHODS COMPUTATIONA, V2, P95
[2]   EFFECTS OF EXCHANGE ENERGY AND ORBITAL ORTHOGONALITY ON BARRIERS TO INTERNAL-ROTATION [J].
CHRISTIANSEN, PA ;
PALKE, WE .
JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (01) :57-63
[3]   STUDY OF ETHANE INTERNAL-ROTATION BARRIER [J].
CHRISTIANSEN, PA ;
PALKE, WE .
CHEMICAL PHYSICS LETTERS, 1975, 31 (03) :462-466
[4]   ANTISYMMETRIZATION EFFECTS IN BOND-ORBITAL MODELS OF INTERNAL-ROTATION BARRIERS [J].
CORCORAN, CT ;
WEINHOLD, F .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (04) :2866-2868
[5]  
COULSON CA, 1961, VALENCE, pCH7
[6]   THEORETICAL DETERMINATION OF MOLECULAR-STRUCTURE AND CONFORMATION .1. ROLE OF BASIS SET AND CORRELATION EFFECTS IN CALCULATIONS ON HYDROGEN-PEROXIDE [J].
CREMER, D .
JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (10) :4440-4445
[7]   A QUALITATIVE PICTURE OF BARRIER RESTRICTING ROTATION ABOUT SINGLE BONDS [J].
DALE, J .
TETRAHEDRON, 1966, 22 (10) :3373-+
[8]  
DAUBEN WG, 1956, STERIC EFFECTS ORGAN
[9]   HARTREE-FOCK CALCULATION OF BARRIER TO INTERNAL ROTATION IN HYDROGEN PEROXIDE [J].
DUNNING, TH ;
WINTER, NW .
CHEMICAL PHYSICS LETTERS, 1971, 11 (02) :194-&
[10]   THEORETICAL DETERMINATION OF BARRIERS TO INTERNAL-ROTATION IN HYDROGEN-PEROXIDE [J].
DUNNING, TH ;
WINTER, NW .
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (05) :1847-1855