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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 Volume: 146; Journal Issue: 9; Related Information: CHORUS Timestamp: 2018-02-15 01:34:59; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1349362