ON FINDING TRANSITION-STATES

被引：657

作者：

CERJAN, CJ ^{[1
]}

MILLER, WH ^{[1
]}

机构：

[1] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720

来源：

JOURNAL OF CHEMICAL PHYSICS | 1981年 / 75卷 / 06期

关键词：

D O I：

10.1063/1.442352

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：2800 / 2806

页数：7

共 13 条

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[6] STRUCTURE OF TRANSITION-STATES IN ORGANIC REACTIONS - GENERAL THEORY AND AN APPLICATION TO CYCLOBUTENE-BUTADIENE ISOMERIZATION USING A SEMIEMPIRICAL MOLECULAR-ORBITAL METHOD
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[7] REACTION-PATH HAMILTONIAN FOR POLYATOMIC-MOLECULES
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[8] LOCATION OF SADDLE POINTS AND MINIMUM ENERGY PATHS BY A CONSTRAINED SIMPLEX OPTIMIZATION PROCEDURE
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[J]. THEORETICA CHIMICA ACTA, 1979, 53 (01): : 75 - 93
[9] Pople J. A., 1979, International Journal of Quantum Chemistry, P225
[10] CALCULATION OF TRANSITION-STATES
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[J]. CHEMICAL PHYSICS LETTERS, 1975, 35 (04) : 550 - 554

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