Transition state ensemble optimization for reactions of arbitrary complexity

Author:

Zinovjev Kirill1,Tuñón Iñaki1

Affiliation:

1. Departament de Química Física, Universitat de València, 46100 Burjassot, Spain

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Cited by 8 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献

1. A matrix completion algorithm to recover modes orthogonal to the minimum energy path in chemical reactions;The Journal of Chemical Physics;2020-08-07

2. The transition state and cognate concepts;Advances in Physical Organic Chemistry;2019

3. Adaptive Finite Temperature String Method in Collective Variables;The Journal of Physical Chemistry A;2017-12-18

4. Quantifying the limits of transition state theory in enzymatic catalysis;Proceedings of the National Academy of Sciences;2017-11-03

5. Reaction coordinates and transition states in enzymatic catalysis;WIREs Computational Molecular Science;2017-09-04

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