Skirting the transition state, a new paradigm in reaction rate theory

被引：39

作者：

Bowman, Joel M. ^{[1
]}

机构：

[1] Emory Univ, Emerson Ctr Sci Computat, Atlanta, GA 30322 USA

[2] Emory Univ, Dept Chem, Atlanta, GA 30322 USA

来源：

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA | 2006年 / 103卷 / 44期

关键词：

D O I：

10.1073/pnas.0607810103

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

引用

页码：16061 / 16062

页数：2

共 50 条

[31] Cooperative, transnational and regulator: the integration scheme as a (new) paradigm for the State theory [J].

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VOTH, GA ;

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ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1989, 198 :139-PHYS

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[34] SEMICLASSICAL TRANSITION-STATE THEORY - A NEW PERSPECTIVE [J].

HERNANDEZ, R ;

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CHEMICAL PHYSICS LETTERS, 1993, 214 (02) :129-136

[35] ACCURACY OF TRANSITION-STATE THEORY IN ITS ABSOLUTE RATE THEORY AND VARIATIONAL FORMULATIONS [J].

SVERDLIK, DI ;

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