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Title: Predicting solvation free energies and thermodynamics in polar solvents and mixtures using a solvation-layer interface condition

Authors:
ORCiD logo [1] ;  [1] ;  [1] ; ORCiD logo [2] ; ORCiD logo [1]
  1. Department of Mechanical and Industrial Engineering, Northeastern University, Boston, Massachusetts 02115, USA
  2. Department of Computational and Applied Mathematics, Rice University, Houston, Texas 77005, USA
Publication Date:
Grant/Contract Number:
AC02-06CH11357
Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 146 Journal Issue: 9; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1349362

Molavi Tabrizi, Amirhossein, Goossens, Spencer, Mehdizadeh Rahimi, Ali, Knepley, Matthew, and Bardhan, Jaydeep P. Predicting solvation free energies and thermodynamics in polar solvents and mixtures using a solvation-layer interface condition. United States: N. p., Web. doi:10.1063/1.4977037.
Molavi Tabrizi, Amirhossein, Goossens, Spencer, Mehdizadeh Rahimi, Ali, Knepley, Matthew, & Bardhan, Jaydeep P. Predicting solvation free energies and thermodynamics in polar solvents and mixtures using a solvation-layer interface condition. United States. doi:10.1063/1.4977037.
Molavi Tabrizi, Amirhossein, Goossens, Spencer, Mehdizadeh Rahimi, Ali, Knepley, Matthew, and Bardhan, Jaydeep P. 2017. "Predicting solvation free energies and thermodynamics in polar solvents and mixtures using a solvation-layer interface condition". United States. doi:10.1063/1.4977037.
@article{osti_1349362,
title = {Predicting solvation free energies and thermodynamics in polar solvents and mixtures using a solvation-layer interface condition},
author = {Molavi Tabrizi, Amirhossein and Goossens, Spencer and Mehdizadeh Rahimi, Ali and Knepley, Matthew and Bardhan, Jaydeep P.},
abstractNote = {},
doi = {10.1063/1.4977037},
journal = {Journal of Chemical Physics},
number = 9,
volume = 146,
place = {United States},
year = {2017},
month = {3}
}

Works referenced in this record:

Electrostatics of nanosystems: Application to microtubules and the ribosome
journal, August 2001
  • Baker, N. A.; Sept, D.; Joseph, S.
  • Proceedings of the National Academy of Sciences, Vol. 98, Issue 18, p. 10037-10041
  • DOI: 10.1073/pnas.181342398