Transferability of Sigma Enlarging Bridge Function for Lennard-Jones Diatomic Solute Using Monatomic Solvent Correlation Obtained from Molecular Dynamics Simulation-Reference-Cited by-同舟云学术

Transferability of Sigma Enlarging Bridge Function for Lennard-Jones Diatomic Solute Using Monatomic Solvent Correlation Obtained from Molecular Dynamics Simulation

Published:2020-11-05 Issue:11 Volume:49 Page:1372-1375
ISSN:0366-7022
Container-title:Chemistry Letters
language:en
Short-container-title:Chem. Lett.

Author:

Miyata Tatsuhiko¹,Yabuki Naoya¹,Leung Jackie¹

Affiliation:

1. Department of Physics, Ehime University, 2-5 Bunkyo-Cho, Matsuyama, Ehime 790-8577, Japan

Publisher

The Chemical Society of Japan

Subject

General Chemistry

Link

http://www.journal.csj.jp/doi/pdf/10.1246/cl.200521

Reference21 articles.

1. Molecular Theory of Solvation, ed. by F. Hirata, Kluwer, Dordrecht, 2003.

2. Towards a universal method for calculating hydration free energies: a 3D reference interaction site model with partial molar volume correction

3. A Cavity Corrected 3D-RISM Functional for Accurate Solvation Free Energies

4. Hydration free energy of hydrophobic solutes studied by a reference interaction site model with a repulsive bridge correction and a thermodynamic perturbation method

5. A modified repulsive bridge correction to accurate evaluation of solvation free energy in integral equation theory for molecular liquids

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