MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF ORGANIC COMPOUNDS .21. ROTATIONAL POTENTIALS FOR GEMINAL METHYL-GROUPS

被引：113

作者：

CREMER, D

BINKLEY, JS

POPLE, JA

HEHRE, WJ

机构：

[1] UNIV CALIF,DEPT CHEM,IRVINE,CA 92650

[2] CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1974年 / 96卷 / 22期

关键词：

D O I：

10.1021/ja00829a015

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

收藏

页码：6900 / 6903

页数：4

相关论文

共 29 条

[1] [Anonymous], 1970, TOP STEREOCHEM
[2] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
DITCHFIELD, R
HEHRE, WJ
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) : 724 - +
[3] GORDY W, 1970, MICROWAVE MOLECULAR
[4] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .13. EXTENDED GAUSSIAN-TYPE BASIS FOR BORON
HEHRE, WJ
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (08) : 4233 - &
[5] HEHRE WJ, 1973, CHEM COMMUN, P754
[6] CALCULATION OF ENERGY LEVELS FOR INTERNAL TORSION AND OVER-ALL ROTATION .3.
HERSCHBACH, DR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1959, 31 (01) : 91 - 108
[7] MICROWAVE SPECTRUM OF PROPYLENE .2. POTENTIAL FUNCTION FOR INTERNAL ROTATION OF METHYL GROUP
HIROTA, E
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (06) : 1984 - &
[8] INTERNAL ROTATION OF PROPANE FROM MICROWAVE SPECTRUM
HIROTA, E
MATSUMUR.C
MORINO, Y
[J]. BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1967, 40 (05) : 1124 - +
[9] STERIC ATTRACTION
HOFFMANN, R
LEVIN, CC
MOSS, RA
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (02) : 629 - 631
[10] MOLECULAR STRUCTURE OF METHYLAMINE
ITOH, T
[J]. JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1956, 11 (03) : 264 - 271