Limited Search Characteristics of the Scaled Hypersphere Search Method: A Systematic Case Study for Isomers of BCNOS-Reference-Cited by-同舟云学术

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Limited Search Characteristics of the Scaled Hypersphere Search Method: A Systematic Case Study for Isomers of BCNOS

Published:2018-11-15 Issue:11 Volume:91 Page:1625-1629
ISSN:0009-2673
Container-title:Bulletin of the Chemical Society of Japan
language:en
Short-container-title:BCSJ

Author:

Kodaya Yoshitomo¹,Yamakado Hideo²,Ohno Koichi³⁴

Affiliation:

1. Graduate School of Systems Engineering, Wakayama University, 930 Sakaedani, Wakayama 640-8510, Japan

2. Faculty of Systems Engineering, Wakayama University, 930 Sakaedani, Wakayama 640-8510, Japan

3. Graduate School of Science, Tohoku University, 6-3 Aramaki Aza-Aoba, Aoba-ku, Sendai, Miyagi 980-8579, Japan

4. Institute for Quantum Chemical Exploration, LOOP-X, 3-9-15 Kaigan, Minato-ku, Tokyo 108-0022, Japan

Publisher

The Chemical Society of Japan

Subject

General Chemistry

Link

http://www.journal.csj.jp/doi/pdf/10.1246/bcsj.20180107

Reference18 articles.

1. A scaled hypersphere search method for the topography of reaction pathways on the potential energy surface

2. Global Mapping of Equilibrium and Transition Structures on Potential Energy Surfaces by the Scaled Hypersphere Search Method: Applications to ab Initio Surfaces of Formaldehyde and Propyne Molecules

3. Global Reaction Route Mapping on Potential Energy Surfaces of Formaldehyde, Formic Acid, and Their Metal-Substituted Analogues

4. Global Investigation on the Potential Energy Surface of CH3CN: Application of the Scaled Hypersphere Search Method

5. D–L Conversion Pathways between Optical Isomers of Alanine: Applications of the Scaled Hypersphere Search Method to Explore Unknown Reaction Routes in a Chiral System

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