Prediction of then-hexane/water and 1-octanol/water partition coefficients for environmentally relevant compounds using molecular simulation
Author:
Publisher
Wiley
Subject
General Chemical Engineering,Environmental Engineering,Biotechnology
Reference77 articles.
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2. Investigation of structure, dynamics and solvation in 1-octanol and its water-saturated solution: molecular dynamics and free-energy perturbation studies;Debolt;J Am Chem Soc.,1995
3. Microscopic structure and solvation in dry and wet octanol;Chen;J Phys Chem B.,2006
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