An automated method to find transition states using chemical dynamics simulations-Reference-Cited by-同舟云学术

An automated method to find transition states using chemical dynamics simulations

Published:2014-11-21 Issue:4 Volume:36 Page:222-234
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Martínez-Núñez Emilio¹

Affiliation:

1. Departamento de Química Física and Centro Singular de Investigación en Química Biológica y Materiales Moleculares; Campus Vida, Universidade de Santiago de Compostela; 15782 Santiago de Compostela Spain

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23790/fullpdf

Reference113 articles.

1. The Activated Complex in Chemical Reactions

2. The transition state method

3. Optimization of equilibrium geometries and transition structures

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