BARRIERS TO INTERNAL-ROTATION OBTAINED BY PSEUDOPOTENTIAL CALCULATIONS

被引:9
作者
EWIG, CS [1 ]
VANWAZER, JR [1 ]
机构
[1] VANDERBILT UNIV,DEPT CHEM,NASHVILLE,TN 37235
关键词
D O I
10.1063/1.433262
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:2035 / 2036
页数:2
相关论文
共 13 条
[1]   MICROWAVE SPECTRUM AND BARRIER TO INTERNAL ROTATION OF METHYL STANNANE [J].
CAHILL, P ;
BUTCHER, S .
JOURNAL OF CHEMICAL PHYSICS, 1961, 35 (06) :2255-&
[2]   PSEUDOPOTENTIAL SCF METHOD FOR VALENCE-ONLY MOLECULAR CALCULATIONS [J].
COFFEY, P ;
EWIG, CS ;
VANWAZER, JR .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (07) :1656-1662
[3]   PSEUDOPOTENTIAL AND EFFECTIVE-POTENTIAL SCF THEORY AND ITS APPLICATION TO COMPOUNDS OF HEAVY ELEMENTS [J].
EWIG, CS ;
VANWAZER, JR .
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (09) :4035-4041
[4]   USE OF PSEUDOPOTENTIAL THEORY TO STUDY MOLECULAR-STRUCTURE - PHOSPHORUS HALIDES [J].
EWIG, CS ;
COFFEY, P ;
VANWAZER, JR .
INORGANIC CHEMISTRY, 1975, 14 (08) :1848-1851
[5]   DEPENDENCE OF CH3SIH3 BARRIER TO INTERNAL-ROTATION ON VIBRATIONAL COORDINATES - TESTING OF MODELS AND EFFECT OF VIBRATIONS ON OBSERVED BARRIER HEIGHT [J].
EWIG, CS ;
PALKE, WE ;
KIRTMAN, B .
JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (07) :2749-2758
[6]  
EWIG CS, IN PRESS
[8]   MICROWAVE SPECTRUM OF METHYL GERMANE [J].
LAURIE, VW .
JOURNAL OF CHEMICAL PHYSICS, 1959, 30 (05) :1210-1214
[9]   BARRIER TO INTERNAL-ROTATION IN ETHANE [J].
LOWE, JP .
SCIENCE, 1973, 179 (4073) :527-532
[10]   MOLECULAR PSEUDOPOTENTIAL CALCULATIONS ON TRANSITION-METAL COMPLEXES - NI(CO)4, PD(CO)4, AND PT(CO)4 [J].
OSMAN, R ;
EWIG, CS ;
VANWAZER, JR .
CHEMICAL PHYSICS LETTERS, 1976, 39 (01) :27-30