High performance global exploration of isomers and isomerization channels on quantum chemical potential energy surface of H 5 C 2 NO 2-Reference-Cited by-同舟云学术

High performance global exploration of isomers and isomerization channels on quantum chemical potential energy surface of H 5 C 2 NO 2

Published:2020-11-04 Issue:3 Volume:42 Page:192-204
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Ohno Koichi¹²^ORCID,Kishimoto Naoki²^ORCID,Iwamoto Takeaki²^ORCID,Satoh Hiroko¹³⁴^ORCID,Watanabe Hiromasa¹

Affiliation:

1. Institute for Quantum Chemical Exploration Tokyo Japan

2. Department of Chemistry, Graduate School of Science Tohoku University Sendai Japan

3. Department of Chemistry University of Zurich Zurich Switzerland

4. Research Organization of Information and Systems (ROIS) Tokyo Japan

Funder

Japan Society for the Promotion of Science

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26446

Reference47 articles.

1. Z.Slanina.Contemporary Theory of Chemical Isomerism 1st ed. D. Reidel Publishing Company: Dordrecht Holland; Academia Publishing House of the Czechoslovak Academy of Sciences Prague Czechslovakia 1986. pp. 8–28.

2. Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules

3. Z.Slanina.Contemporary theory of chemical isomerism 1st ed. D. Reidel Publishing Company: Dordrecht Holland; Academia Publishing House of the Czechoslovak Academy of Sciences: Prague Czechslovakia 1986. pp. 29‐110.

4. Exploring potential energy surfaces for chemical reactions: An overview of some practical methods

5. F.Jensen.Introduction to computational chemistry. 3rd ed. John Wiley & Sons Ltd.: The atrium Southern Gate Chichester West Sussex PO19 8SQ England 2017. Chapter 13 pp. 404–446.

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