Search for transition states with external forces-Reference-Cited by-同舟云学术

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Search for transition states with external forces

Published:2022-02-18 Issue:9 Volume:43 Page:598-610
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Brzyska Agnieszka¹^ORCID,Wolinski Krzysztof²

Affiliation:

1. Jerzy Haber Institute of Catalysis and Surface Chemistry Polish Academy of Sciences Krakow Poland

2. Department of Theoretical Chemistry, Institute of Chemical Sciences, Faculty of Chemistry Maria Curie‐Sklodowska University in Lublin Lublin Poland

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26821

Reference41 articles.

1. Some Practical Suggestions for Optimizing Geometries and Locating Transition States

2. Efficient methods for finding transition states in chemical reactions: Comparison of improved dimer method and partitioned rational function optimization method

3. Efficient Geometry Minimization and Transition Structure Optimization Using Interpolated Potential Energy Surfaces and Iteratively Updated Hessians

4. Second-Order Methods for the Optimization of Molecular Potential Energy Surfaces

5. Reaction Paths on Multidimensional Energy Hypersurfaces

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