Solvation Thermodynamics of Organic Molecules by the Molecular Integral Equation Theory: Approaching Chemical Accuracy-Reference-Cited by-同舟云学术

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

Published:2015-06-15 Issue:13 Volume:115 Page:6312-6356
ISSN:0009-2665
Container-title:Chemical Reviews
language:en
Short-container-title:Chem. Rev.

Author:

Ratkova Ekaterina L.¹²,Palmer David S.²³,Fedorov Maxim V.²⁴

Affiliation:

1. G. A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences, Akademicheskaya Street 1, Ivanovo 153045, Russia

2. The Max Planck Institute for Mathematics in the Sciences, Inselstrasse 22, Leipzig 04103, Germany

3. Department of Chemistry, University of Strathclyde, Thomas Graham Building, 295 Cathedral Street, Glasgow, Scotland G1 1XL, United Kingdom

4. Department of Physics, Scottish Universities Physics Alliance (SUPA), University of Strathclyde, John Anderson Building, 107 Rottenrow East, Glasgow G4 0NG, United Kingdom

Funder

Scottish Universities Physics Alliance

Deutsche Forschungsgemeinschaft

Russian Foundation for Basic Research

University of Strathclyde

Max-Planck-Gesellschaft

European Commission Directorate-General for Research and Innovation

Ministry of Education and Science of the Russian Federation

Publisher

American Chemical Society (ACS)

Subject

General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/cr5000283

Reference385 articles.

1. Three-Dimensional Molecular Theory of Solvation Coupled with Molecular Dynamics in Amber

2. Hydration Thermodynamics Using the Reference Interaction Site Model: Speed or Accuracy?

3. Molecular theory of solvation for supramolecules and soft matter structures: application to ligand binding, ion channels, and oligomeric polyelectrolyte gelators

4. 3DRISM Multigrid Algorithm for Fast Solvation Free Energy Calculations

5. Modified Anderson Method for Accelerating 3D-RISM Calculations Using Graphics Processing Unit

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