Effect of Molecular Orientational Correlations on Solvation Free Energy Computed by Reference Interaction Site Model Theory-Reference-Cited by-同舟云学术

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Effect of Molecular Orientational Correlations on Solvation Free Energy Computed by Reference Interaction Site Model Theory

Published:2019-08-13 Issue:9 Volume:59 Page:3770-3781
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Tanimoto Shoichi¹^ORCID,Yoshida Norio¹^ORCID,Yamaguchi Tsuyoshi²^ORCID,Ten-no Seiichiro L.³,Nakano Haruyuki¹^ORCID

Affiliation:

1. Department of Chemistry, Graduate School of Science, Kyushu University, 744 Motooka, Nishi-ku, Fukuoka 819-0395, Japan

2. Graduate School of Engineering, Nagoya University, Chikusa-ku, Nagoya 464-8603, Japan

3. Graduate School of Science, Technology, and Innovation, Kobe University, Nada-ku, Kobe 657-8501, Japan

Funder

Ministry of Education, Culture, Sports, Science and Technology

Japan Society for the Promotion of Science

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.9b00330

Reference67 articles.

1. Optimized Cluster Expansions for Classical Fluids. II. Theory of Molecular Liquids

2. An extended rism equation for molecular polar fluids

3. An Integral Equation To Describe the Solvation of Polar Molecules in Liquid Water

4. Three-dimensional density profiles of water in contact with a solute of arbitrary shape: a RISM approach

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