Conformational Equilibrium of 1,2-Dichloroethane in Water: Comparison of PCM and RISM-SCF Methods-Reference-Cited by-同舟云学术

Conformational Equilibrium of 1,2-Dichloroethane in Water: Comparison of PCM and RISM-SCF Methods

Published:2006-07-26 Issue:32 Volume:110 Page:16018-16025
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Lee Jin Yong¹,Yoshida Norio¹,Hirata Fumio¹

Affiliation:

1. Department of Theoretical Molecular Science, Institute for Molecular Science, Okazaki 444-8585, Japan, Department of Fundamental Molecular Science, The Graduate University for Advanced Studies, Okazaki 444-8585, Japan, and Department of Chemistry, Institute of Basic Science, Sungkyunkwan University, Suwon, 440-746, Korea

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/jp0606762

Reference96 articles.

1. Internal Rotation of 1,2-Dichloroethane in Haloalkane Dehalogenase. A Test Case for Analyzing Electrostatic Effects in Enzymes

2. Rotational barriers. 1. 1,2-Dihaloethanes

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