LOCALIZED AB-INITIO ANALYSIS OF AN ELECTROCYCLIC REACTION

被引：9

作者：

DAUDEY, JP ^{[1
]}

LANGLET, J ^{[1
]}

MALRIEU, JP ^{[1
]}

机构：

[1] INST BIOL PHYSICO-CHIM,CNRS,LAB BIOCHIM THEORIQUE,PARIS,FRANCE

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1974年 / 96卷 / 11期

关键词：

D O I：

10.1021/ja00818a009

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：3393 / 3397

页数：5

共 34 条

[21] FORMALDEHYDE - GROUND STATE ENERGY CALCULATION BY A PERTURBATION TECHNIQUE
MASSON, A
LEVY, B
MALRIEU, JP
[J]. THEORETICA CHIMICA ACTA, 1970, 18 (03): : 193 - &
[22] STRUCTURE OF TRANSITION-STATES IN ORGANIC REACTIONS - GENERAL THEORY AND AN APPLICATION TO CYCLOBUTENE-BUTADIENE ISOMERIZATION USING A SEMIEMPIRICAL MOLECULAR-ORBITAL METHOD
MCIVER, JW
KOMORNIC.A
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (08) : 2625 - &
[23] THEORY OF INTERMOLECULAR FORCES IN REGION OF SMALL ORBITAL OVERLAP
MURRELL, JN
RANDIC, M
WILLIAMS, DR
[J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1965, 284 (1399): : 566 - &
[24] NONADDITIVITY OF INTERBOND INTERACTIONS AND ROTATION BARRIER IN ETHANE - PRELIMINARY INVESTIGATION
MUSSO, GF
MAGNASCO, V
[J]. CHEMICAL PHYSICS LETTERS, 1973, 23 (01) : 79 - 82
[25] APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .3. CNDO RESULTS FOR AB2 AND AB3 SYSTEMS
POPLE, JA
SEGAL, GA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (09) : 3289 - &
[26] KINETICS OF PHOTOCHEMICAL DIMERIZATION OF OLEFINS TO CYCLOBUTANE DERIVATIVES .1. INTRAMOLECULAR ADDITION
SRINIVASAN, R
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1962, 84 (21) : 4141 - &
[27] GEOMETRY OPTIMIZATION IN COMPUTATION OF BARRIERS TO INTERNAL ROTATION
STEVENS, RM
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (03) : 1397 - &
[28] USE OF SINGLE DETERMINANT WAVE FUNCTIONS CONSTRUCTED FROM LOCALIZED ORBITALS IN MAPPING ANALYSIS OF CONCERTED REACTIONS
TRINDLE, C
[J]. THEORETICA CHIMICA ACTA, 1970, 18 (03): : 261 - &
[29] APPLICATIONS OF MAPPING ANALYSIS OF CONCERTED REACTIONS
TRINDLE, C
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (11) : 3255 - &
[30] LOCAL ORBITAL GUIDE TO ALLOWED INTERCONVERSIONS OF C4H7+ IONS
TRINDLE, C
SINANOGL.O
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (15) : 4054 - &

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