On the ion‐pair dissociation mechanisms in the small NaCl·(H 2 O) 6 cluster: A perspective from reaction path search calculations-Reference-Cited by-同舟云学术

On the ion‐pair dissociation mechanisms in the small NaCl·(H 2 O) 6 cluster: A perspective from reaction path search calculations

Published:2018-04-20 Issue:23 Volume:39 Page:1835-1842
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Takayanagi Toshiyuki¹^ORCID,Nakatomi Taiki¹,Yonetani Yoshiteru²

Affiliation:

1. Department of ChemistrySaitama University, Shimo‐Okubo255, Sakura‐kuSaitama City Saitama338‐8570 Japan

2. Quantum Beam Science Research Directorate, National Institute for Quantum and Radiological Science and Technology (QST)Tokai‐mura Ibaraki319‐1106 Japan

Funder

Ministry of Education, Culture, Sports, Science and Technology

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.25227

Reference51 articles.

1. Reaction-rate theory: fifty years after Kramers

2. Intrinsic reaction coordinate: Calculation, bifurcation, and automated search

3. The path of chemical reactions - the IRC approach

4. Recent developments in methods for identifying reaction coordinates

5. Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science

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