THE VINYLIDENE-ACETYLENE ISOMERIZATION BARRIER

被引：169

作者：

KRISHNAN, R ^{[1
]}

FRISCH, MJ ^{[1
]}

POPLE, JA ^{[1
]}

SCHLEYER, PV ^{[1
]}

机构：

[1] UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER

来源：

CHEMICAL PHYSICS LETTERS | 1981年 / 79卷 / 03期

关键词：

D O I：

10.1016/0009-2614(81)85003-8

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

页码：408 / 411

页数：4

共 20 条

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[6] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .20. BASIS SET FOR CORRELATED WAVE-FUNCTIONS [J].

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[7] APPROXIMATE 4TH-ORDER PERTURBATION-THEORY OF ELECTRON CORRELATION ENERGY [J].

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[8] CONTRIBUTION OF TRIPLE SUBSTITUTIONS TO THE ELECTRON CORRELATION-ENERGY IN 4TH ORDER PERTURBATION-THEORY [J].

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[9]

LATHAN WA, 1974, PROGR PHYS ORG CHEM, V11, P175

[10]

Pople J. A., 1979, International Journal of Quantum Chemistry, P225

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