TORSIONAL POTENTIALS OF METHYL ROTORS ATTACHED TO POLAR LINKAGES

被引:128
作者
HEHRE, WJ
POPLE, JA
DEVAQUET, AJP
机构
[1] UNIV CALIF,DEPT CHEM,IRVINE,CA 92717
[2] CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
[3] UNIV PIERRE & MARIE CURIE,LAB CHIM ORG THEORIQUE,75 PARIS,FRANCE
关键词
D O I
10.1021/ja00419a005
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:664 / 668
页数:5
相关论文
共 29 条
[1]   MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF ORGANIC COMPOUNDS .21. ROTATIONAL POTENTIALS FOR GEMINAL METHYL-GROUPS [J].
CREMER, D ;
BINKLEY, JS ;
POPLE, JA ;
HEHRE, WJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (22) :6900-6903
[2]  
DEVAQUET A, TO BE PUBLISHED
[3]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].
DITCHFIELD, R ;
HEHRE, WJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+
[4]   ATTRACTIVE NONBONDED INTERACTIONS IN ORGANIC-MOLECULES [J].
EPIOTIS, ND .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (10) :3087-3096
[5]   TORSIONAL FREQUENCIES IN THE FAR INFRARED .3. THE FORM OF THE POTENTIAL CURVE FOR HINDERED INTERNAL ROTATION OF A METHYL GROUP [J].
FATELEY, WG ;
MILLER, FA .
SPECTROCHIMICA ACTA, 1963, 19 (03) :611-628
[6]   APPLICATIONS OF QUALITATIVE MOLECULAR-ORBITAL THEORY [J].
GIMARC, BM .
ACCOUNTS OF CHEMICAL RESEARCH, 1974, 7 (11) :384-392
[8]   MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF ORGANIC COMPOUNDS .12. CONFORMATIONS, STABILITIES, AND CHARGE DISTRIBUTIONS IN MONOSUBSTITUTED BENZENES [J].
HEHRE, WJ ;
POPLE, JA ;
RANDOM, L .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (05) :1496-&
[9]   CONFORMATION OF VINYLIC METHYL GROUPS [J].
HEHRE, WJ ;
SALEM, L .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1973, (19) :754-755
[10]   THEORETICAL APPROACHES TO REARRANGEMENTS IN CARBOCATIONS .1. HALOETHYL SYSTEM [J].
HEHRE, WJ ;
HIBERTY, PC .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (09) :2665-2677