Predicting Solvation Free Energies Using Parameter-Free Solvent Models-Reference-Cited by-同舟云学术

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Predicting Solvation Free Energies Using Parameter-Free Solvent Models

Published:2016-06-20 Issue:25 Volume:120 Page:5724-5731
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Misin Maksim¹,Palmer David S.²,Fedorov Maxim V.¹³

Affiliation:

1. Department of Physics, SUPA, University of Strathclyde, 107 Rottenrow, Glasgow, G4 0NG, U.K.

2. Department of Pure and Applied Chemistry, University of Strathclyde, 295 Cathedral Street, Glasgow, G1 1XL, U.K.

3. Skolkovo Institute of Science and Technology, 3 Nobel Street, Moscow 143026, Russian Federation

Funder

Engineering and Physical Sciences Research Council

Marie Curie Intra-European Fellowship

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.6b05352

Reference77 articles.

1. Solvation Thermodynamics of Organic Molecules by the Molecular Integral Equation Theory: Approaching Chemical Accuracy

2. First-Principles Calculation of the Intrinsic Aqueous Solubility of Crystalline Druglike Molecules

3. Predicting Intrinsic Aqueous Solubility by a Thermodynamic Cycle

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