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Title: Comparison of Two Simulation Methods to Compute Solvation Free Energies and Partition Coefficients

Authors:
; ;
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC); Catalysis Center for Energy Innovation (CCEI)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1105666
DOE Contract Number:  
SC0001004
Resource Type:
Journal Article
Journal Name:
J. Comput. Chem.
Additional Journal Information:
Journal Volume: 34; Related Information: CCEI partners with the University of Delaware (lead); Brookhaven National Laboratory; California Institute of Technology; Columbia University; University of Delaware; Lehigh University; University of Massachusetts, Amherst; Massachusetts Institute of Technology; University of Minnesota; Pacific Northwest National Laboratory; University of Pennsylvania; Princeton University; Rutgers University
Country of Publication:
United States
Language:
English
Subject:
catalysis (homogeneous), catalysis (heterogeneous), biofuels (including algae and biomass), bio-inspired, hydrogen and fuel cells, materials and chemistry by design, synthesis (novel materials), synthesis (self-assembly), synthesis (scalable processing)

Citation Formats

Yang, L., Ahmed, A., and Sandler, S. I. Comparison of Two Simulation Methods to Compute Solvation Free Energies and Partition Coefficients. United States: N. p., 2012. Web. doi:10.1002/jcc.23127.
Yang, L., Ahmed, A., & Sandler, S. I. Comparison of Two Simulation Methods to Compute Solvation Free Energies and Partition Coefficients. United States. doi:10.1002/jcc.23127.
Yang, L., Ahmed, A., and Sandler, S. I. Mon . "Comparison of Two Simulation Methods to Compute Solvation Free Energies and Partition Coefficients". United States. doi:10.1002/jcc.23127.
@article{osti_1105666,
title = {Comparison of Two Simulation Methods to Compute Solvation Free Energies and Partition Coefficients},
author = {Yang, L. and Ahmed, A. and Sandler, S. I.},
abstractNote = {},
doi = {10.1002/jcc.23127},
journal = {J. Comput. Chem.},
number = ,
volume = 34,
place = {United States},
year = {2012},
month = {10}
}