On Unjustifiably Misrepresenting the EVB Approach While Simultaneously Adopting It-Reference-Cited by-同舟云学术

On Unjustifiably Misrepresenting the EVB Approach While Simultaneously Adopting It

Published:2009-07-16 Issue:31 Volume:113 Page:10905-10915
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Kamerlin Shina C. L.¹,Cao Jie¹,Rosta Edina¹,Warshel Arieh¹

Affiliation:

1. Department of Chemistry, University of Southern California, 3620 McClintock Avenue, Los Angeles, California 90089, and Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892-0520

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp901709f

Reference50 articles.

1. Perspective on Diabatic Models of Chemical Reactivity as Illustrated by the Gas-Phase SN2 Reaction of Acetate Ion with 1,2-Dichloroethane

2. Molecular Mechanics for Chemical Reactions: A Standard Strategy for Using Multiconfiguration Molecular Mechanics for Variational Transition State Theory with Optimized Multidimensional Tunneling

3. Electrostatically Embedded Multiconfiguration Molecular Mechanics Based on the Combined Density Functional and Molecular Mechanical Method

4. Multiconfiguration molecular mechanics algorithm for potential energy surfaces of chemical reactions

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