SIMPLE SADDLE POINTS OF A POTENTIAL SURFACE, CONSERVATION OF NUCLEAR SYMMETRY ALONG PATHS OF STEEPEST DESCENT, AND SYMMETRY OF TRANSITION-STATES

被引：158

作者：

PECHUKAS, P ^{[1
]}

机构：

[1] COLUMBIA UNIV,DEPT CHEM,NEW YORK,NY 10027

来源：

JOURNAL OF CHEMICAL PHYSICS | 1976年 / 64卷 / 04期

关键词：

D O I：

10.1063/1.432370

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：1516 / 1521

页数：6

共 9 条

[1]

Coddington E. A., 1955, THEORY ORDINARY DIFF

[2] A FORMULATION OF REACTION COORDINATE [J].

FUKUI, K .

JOURNAL OF PHYSICAL CHEMISTRY, 1970, 74 (23) :4161-&

[3] RAPID GEOMETRY OPTIMIZATION FOR SEMI-EMPIRICAL MOLECULAR ORBITAL METHODS [J].

MCIVER, JW ;

KOMORNICKI, A .

CHEMICAL PHYSICS LETTERS, 1971, 10 (03) :303-+

[4] SYMMETRY PROPERTIES OF REACTION COORDINATES [J].

METIU, H ;

ROSS, J ;

SILBEY, R ;

GEORGE, TF .

JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (08) :3200-3209

[5] STATISTICAL FACTORS AND SYMMETRY OF TRANSITION STATES [J].

MURRELL, JN ;

PRATT, GL .

TRANSACTIONS OF THE FARADAY SOCIETY, 1970, 66 (571) :1680-&

[6] SYMMETRIES OF ACTIVATED COMPLEXES [J].

MURRELL, JN ;

LAIDLER, KJ .

TRANSACTIONS OF THE FARADAY SOCIETY, 1968, 64 (542P) :371-&

[7] SYMMETRY RULES FOR CHEMICAL REACTIONS [J].

PEARSON, RG .

ACCOUNTS OF CHEMICAL RESEARCH, 1971, 4 (04) :152-&

[8] GROUP THEORETICAL SELECTION-RULES FOR TRANSITION-STATES OF CHEMICAL-REACTIONS [J].

STANTON, RE ;

MCIVER, JW .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (13) :3632-3646

[9]

Woodward R. B., 1970, CONSERVATION ORBITAL

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