Solubility prediction for a soluble organic molecule via chemical potentials from density of states
Author:
Affiliation:
1. Chemical Theory and Computation, Department of Chemistry, Lancaster University, Lancaster LA1 4YB, United Kingdom
Funder
EPSRC/Astra Zeneca CASE Studentship
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5117281
Reference42 articles.
1. Aggregation and Deposition of Heavy Organics in Petroleum Crudes
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5. Free energy calculations for molecular solids using GROMACS
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