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-Reference-Cited by-同舟云学术

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

Published:2005-06-01 Issue:25 Volume:109 Page:5742-5753
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Maeda Satoshi¹,Ohno Koichi¹

Affiliation:

1. Department of Chemistry, Graduate School of Science, Tohoku University, Aramaki, Aoba-ku, Sendai 980-8578, Japan

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp0513162

Reference149 articles.

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

2. The path of chemical reactions - the IRC approach

3. The Activated Complex in Chemical Reactions

4. Current Status of Transition-State Theory

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