Study of Potential Energy Surfaces towards Global Reaction Route Mapping-Reference-Cited by-同舟云学术

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Study of Potential Energy Surfaces towards Global Reaction Route Mapping

Published:2016-04-05 Issue:5 Volume:16 Page:2198-2218
ISSN:1527-8999
Container-title:The Chemical Record
language:en
Short-container-title:The Chemical Record

Author:

Ohno Koichi¹

Affiliation:

1. Institute for Quantum Chemical Exploration; Minato-ku Tokyo 108-0022 Japan

Publisher

Wiley

Subject

Materials Chemistry,General Chemical Engineering,Biochemistry,General Chemistry

Reference207 articles.

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

2. Formulation of the reaction coordinate

3. The path of chemical reactions - the IRC approach

4. 2014 571 A1

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1. Global Search for Stable C4H5NO Compounds—Guinness Molecules and Stability Islands;Molecules;2023-01-11

2. Evaluation and Analysis of Thermosetting Phenolic Resins Using Multiscale Modeling that Combine Quantum Chemical Calculations and Molecular Reaction Simulations;Journal of the Japan Society for Composite Materials;2022-11-15

3. Investigation of the metastable structures of polyiodide in acetonitrile studied using global reaction route mapping and the reference interaction site model self-consistent field explicitly including constrained spatial electron density distribution;Physical Chemistry Chemical Physics;2022

4. Search for Crystal Structure Candidates by Applying the Generalized Scaled Hypersphere Search Method to Volume of Unit Cell Containing Quasi Rigid Body Approximated Atoms and Molecules;Chemistry Letters;2021-08-05

5. High performance global exploration of isomers and isomerization channels on quantum chemical potential energy surface of H 5 C 2 NO 2;Journal of Computational Chemistry;2020-11-04

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