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复杂体系的化学动力学和反应机理:近期理论进展的观点。

Chemical kinetics and mechanisms of complex systems: a perspective on recent theoretical advances.

机构信息

Chemical Sciences and Engineering Division, Argonne National Laboratory , Argonne, Illinois 60439, United States.

出版信息

J Am Chem Soc. 2014 Jan 15;136(2):528-46. doi: 10.1021/ja408723a. Epub 2014 Jan 2.

Abstract

This Perspective presents a personal overview of the current status of the theory of chemical kinetics and mechanisms for complex processes. We attempt to assess the status of the field for reactions in the gas phase, at gas-solid interfaces, in liquid solutions, in enzymes, and for protein folding. Some unifying concepts such as potential energy surfaces, free energy, master equations, and reaction coordinates occur in more than one area. We hope this Perspective will be useful for highlighting recent advances and for identifying important areas for future research.

摘要

这篇观点文章对复杂过程的化学动力学和反应机制理论的当前现状进行了个人综述。我们试图评估气相反应、气-固界面反应、液相反应、酶反应和蛋白质折叠反应领域的现状。一些统一的概念,如势能面、自由能、主方程和反应坐标,在多个领域都有出现。我们希望这篇观点文章有助于突出最新进展,并确定未来研究的重要领域。

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