QUANTITATIVE ORBITAL ANALYSIS OF ABINITIO SCF-MO COMPUTATIONS .3. TORSIONAL ISOMERISMS IN BUT-2-ENES

被引：10

作者：

BERNARDI, F

BOTTONI, A

TONACHINI, G

机构：

[1] UNIV BOLOGNA,IST CHIM ORGAN,I-40126 BOLOGNA,ITALY

[2] UNIV TURIN,IST CHIM ORGAN,I-10126 TURIN,ITALY

来源：

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2 | 1983年 / 01期

关键词：

D O I：

10.1039/p29830000015

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

引用

收藏

页码：15 / 23

页数：9

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共 23 条

[1] QUANTUM ORGANIC PHOTOCHEMISTRY .1. INTRAMOLECULAR POTENTIAL ENERGY SURFACES FOR LOWEST 3-PI-PI] STATE OF POLYENES
BAIRD, NC
WEST, RM
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (18) : 4427 - &
[2] FRAGMENT INTERACTION ANALYSIS OF STRUCTURAL PROBLEMS IN THE FRAMEWORK OF ABINITIO SCF-MO COMPUTATIONS
BERNARDI, F
BOTTONI, A
[J]. THEORETICA CHIMICA ACTA, 1981, 58 (04): : 245 - 255
[3] CORRELATION EFFECTS IN CONFORMATIONAL PROBLEMS
BERNARDI, F
ROBB, MA
TONACHINI, G
[J]. CHEMICAL PHYSICS LETTERS, 1979, 66 (01) : 195 - 198
[4] BERNARDI F, 1981, COMPUTATIONAL THEORE
[5] BINKLEY JS, 1978, QCPE, V11, P368
[6] Dewar M.J.S., 1969, MOL ORBITAL THEORY O
[7] 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 - +
[8] ATTRACTIVE NONBONDED INTERACTIONS IN ORGANIC-MOLECULES
EPIOTIS, ND
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (10) : 3087 - 3096
[9] EPIOTIS ND, 1977, TOP CURR CHEM, V70, P66
[10] EPIOTIS ND, 1975, J AM CHEM SOC, V97, P5691