EFFECT OF VIBRATIONS ON INTERNAL-ROTATION BARRIER IN ETHANE

被引:42
作者
KIRTMAN, B [1 ]
PALKE, WE [1 ]
EWIG, CS [1 ]
机构
[1] UNIV CALIF,DEPT CHEM,SANTA BARBARA,CA 93106
关键词
D O I
10.1063/1.432472
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:1883 / 1890
页数:8
相关论文
共 24 条
[1]   ELECTRON DIFFRACTION STUDY OF STRUCTURES OF ETHANE AND DEUTEROETHANE [J].
BARTELL, LS ;
HIGGINBOTHAM, HK .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (03) :851-+
[2]   CALCULATION OF MEAN ATOMIC POSITIONS IN VIBRATING POLYATOMIC MOLECULES [J].
BARTELL, LS .
JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (08) :1827-&
[3]   THE CALCULATION OF FORCE CONSTANTS AND NORMAL COORDINATES .5. CONSTRAINED FORCE FIELDS FOR A SERIES OF METHYL AND DIMETHYL COMPOUNDS OF 3-FOLD SYMMETRY [J].
DUNCAN, JL .
SPECTROCHIMICA ACTA, 1964, 20 (07) :1197-1221
[7]   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
[8]   INFLUENCE OF POLARIZATION FUNCTIONS ON MOLECULAR-ORBITAL HYDROGENATION ENERGIES [J].
HARIHARA.PC ;
POPLE, JA .
THEORETICA CHIMICA ACTA, 1973, 28 (03) :213-222
[9]   GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].
HUZINAGA, S .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&
[10]   AN APPROACH TO INTERNAL ROTATION PROBLEM [J].
KARPLUS, M ;
PARR, RG .
JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (07) :1547-&