Origin of methyl internal rotation barriers

被引:104
作者
Goodman, L [1 ]
Pophristic, V
Weinhold, F
机构
[1] Rutgers State Univ, Wright Lab, New Brunswick, NJ 08903 USA
[2] Rutgers State Univ, Rieman Chem Lab, New Brunswick, NJ 08903 USA
[3] Univ Wisconsin, Dept Chem, Madison, WI 53706 USA
关键词
D O I
10.1021/ar990069f
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
[No abstract available]
引用
收藏
页码:983 / 993
页数:11
相关论文
共 32 条
[1]   Energy component analysis of rotational barriers [J].
Allen, L. C. .
CHEMICAL PHYSICS LETTERS, 1968, 2 (08) :597-601
[2]   Natural bond orbital analysis of steric interactions [J].
Badenhoop, JK ;
Weinhold, F .
JOURNAL OF CHEMICAL PHYSICS, 1997, 107 (14) :5406-5421
[3]  
Badenhoop JK, 1999, INT J QUANTUM CHEM, V72, P269, DOI 10.1002/(SICI)1097-461X(1999)72:4<269::AID-QUA9>3.0.CO
[4]  
2-8
[5]   ORIGIN OF ROTATION AND INVERSION BARRIERS [J].
BADER, RFW ;
CHEESEMAN, JR ;
LAIDIG, KE ;
WIBERG, KB ;
BRENEMAN, C .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1990, 112 (18) :6530-6536
[6]   QUANTUM-MECHANICAL STUDIES ON THE ORIGIN OF BARRIERS TO INTERNAL-ROTATION ABOUT SINGLE BONDS [J].
BRUNCK, TK ;
WEINHOLD, F .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (07) :1700-1709
[7]  
Cioslowski J, 1997, MOL PHYS, V91, P413, DOI 10.1080/00268979709482731
[8]   NATURAL HYBRID ORBITALS [J].
FOSTER, JP ;
WEINHOLD, F .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (24) :7211-7218
[10]   Getting the shape of methyl internal rotation potential surfaces right [J].
Goodman, L ;
Kundu, T ;
Leszczynski, J .
JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (08) :2770-2783