POTENTIAL-ENERGY SURFACES AND TUNNELLING DYNAMICS OF SOME JAHN-TELLER ACTIVE MOLECULES

被引:47
作者
DEWAR, MJS
MERZ, KM
机构
关键词
D O I
10.1021/j100268a018
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 ;
摘要
引用
收藏
页码:4739 / 4744
页数:6
相关论文
共 93 条
[41]   CYCLOOCTATETRAENE AND IONS DERIVED FROM IT [J].
DEWAR, MJS ;
HARGET, A ;
HASELBAC.E .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (26) :7521-&
[42]  
DEWAR MJS, 1971, J AM CHEM SOC, V96, P225
[43]  
DEWAR MJS, UNPUB
[44]  
DEWAR MJS, J MOL STRUCT THEOCHE
[45]   CYCLIC VOLTAMMETRIC OXIDATION OF TETRA-TERT-BUTYLTETRAHEDRANE [J].
FOX, MA ;
CAMPBELL, KA ;
HUNIG, S ;
BERNETH, H ;
MAIER, G ;
SCHNEIDER, KA ;
MALSCH, KD .
JOURNAL OF ORGANIC CHEMISTRY, 1982, 47 (18) :3408-3412
[46]   AB-INITIO STUDY ON STABILITY, GEOMETRY AND ELECTRONIC-STRUCTURE OF CYCLOPROPENYL SYSTEM [J].
HA, TK ;
GRAF, F ;
GUNTHARD, HH .
JOURNAL OF MOLECULAR STRUCTURE, 1973, 15 (03) :335-350
[47]  
HASSELBACH E, 1970, CHEM PHYS LETT, V7, P428
[48]  
HESS BA, 1984, TETRAHEDRON LETT, P4721
[49]   ELECTRONIC SYMMETRY-BREAKING IN POLYATOMIC-MOLECULES - MULTICONFIGURATION SELF-CONSISTENT FIELD-STUDY OF THE CYCLOPROPENYL RADICAL C3H3 [J].
HOFFMANN, MR ;
LAIDIG, WD ;
KIM, KS ;
FOX, DJ ;
SCHAEFER, HF .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (01) :338-343
[50]   ABINITIO CALCULATION OF EQUILIBRIUM GEOMETRY AND HYPERFINE COUPLING-CONSTANTS OF THE CYCLOPENTANE CATION [J].
HUANG, MB ;
LUNELL, S ;
LUND, A .
CHEMICAL PHYSICS LETTERS, 1983, 99 (03) :201-205