ORIGIN OF ROTATIONAL BARRIERS .I. MANY-ELECTRON MOLECULAR ORBITAL WAVEFUNCTIONS FOR ETHANE METHYL ALCOHOL AND HYDROGEN PEROXIDE

被引:264
作者
FINK, WH
ALLEN, LC
机构
关键词
D O I
10.1063/1.1841031
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:2261 / &
相关论文
共 31 条
[11]   AN APPROACH TO INTERNAL ROTATION PROBLEM [J].
KARPLUS, M ;
PARR, RG .
JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (07) :1547-&
[12]  
LASETTRE EN, 1949, J CHEM PHYS, V17, P317
[14]   Internal Rotation in Hydrogen Peroxide and Methyl Alcohol: A Simple Electrostatic Model [J].
Lowe, John P. ;
Parr, Robert G. .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (07) :2565-2566
[15]   SEMIEMPIRICAL TREATMENT OF HINDERED ROTATION IN SIMPLE HYDRIDES AND HALOSUBSTITUTED ETHANELIKE MOLECULES [J].
LOWE, JP ;
PARR, RG .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (08) :3001-&
[16]   MAGNITUDES OF BARRIERS IN INTRAMOLECULAR ROTATION [J].
LUFT, NW .
JOURNAL OF CHEMICAL PHYSICS, 1954, 22 (11) :1814-1820
[18]   THEOREM GOVERNING CHANGES IN MOLECULAR CONFORMATION [J].
PARR, RG .
JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (12) :3726-&
[19]   The Theory of the Structure of Hydrogen Peroxide and Hydrazine [J].
Penney, W. G. ;
Sutherland, G. B. B. M. .
JOURNAL OF CHEMICAL PHYSICS, 1934, 2 (08)
[20]   GEOMETRY OF MOLECULES .I. WAVEFUNCTIONS FOR SOME SIX-AND EIGHT-ELECTRON POLYHYDRIDES [J].
PEYERIMHOFF, SD ;
BUENKER, RJ ;
ALLEN, LC .
JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (02) :734-+