omnisol: Fast Prediction of Free Energies of Solvation and Partition Coefficients-Reference-Cited by-同舟云学术

omnisol: Fast Prediction of Free Energies of Solvation and Partition Coefficients

Published:1998-06-01 Issue:13 Volume:63 Page:4305-4313
ISSN:0022-3263
Container-title:The Journal of Organic Chemistry
language:en
Short-container-title:J. Org. Chem.

Author:

Hawkins Gregory D.¹,Liotard Daniel A.¹,Cramer Christopher J.¹,Truhlar Donald G.¹

Affiliation:

1. Department of Chemistry and Supercomputer Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431 and Laboratoire de Physico-Chimie Theorique, Universite de Bordeaux 1, 351 Cours de la Liberation, 33405 Talence Cedex, France

Publisher

American Chemical Society (ACS)

Subject

Organic Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jo980046z

Reference39 articles.

1. Ben-Naim, A.Solvation Thermodynamics; Plenum: New York, 1987.

Cited by 74 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. PW-SMD: A Plane-Wave Implicit Solvation Model Based on Electron Density for Surface Chemistry and Crystalline Systems in Aqueous Solution;Journal of Chemical Theory and Computation;2024-07-18

2. Assessment of the SM12, SM8, and SMD Solvation Models for Predicting Limiting Activity Coefficients at 298.15 K;Processes;2020-05-22

3. Octanol–Water Partition Coefficient from 3D-RISM-KH Molecular Theory of Solvation with Partial Molar Volume Correction;The Journal of Physical Chemistry B;2015-04-15

4. KECSA-Movable Type Implicit Solvation Model (KMTISM);Journal of Chemical Theory and Computation;2015-01-08

5. Composite Method for Implicit Representation of Solvent in Dimethyl Sulfoxide and Acetonitrile;The Journal of Physical Chemistry A;2014-12-11