Results 291 to 300 of about 9,026,292 (300)

Prediction of Molecular Solvation Free Energy Based on the Optimization of Atomic Solvation Parameters With Genetic Algorithm

Journal of Chemical Information and Modeling, 2007
Hwangseo Park, Hwanho Choi, Hongsuk Kang
exaly  

Approaches for Calculating Solvation Free Energies and Enthalpies Demonstrated With an Update of the FreeSolv Database

Journal of Chemical & Engineering Data, 2017
Hannes H Loeffler, David L. Mobley, Guilherme Duarte Ramos Matos   +2 more
exaly  

Use of Solution-Phase Vibrational Frequencies in Continuum Models for the Free Energy of Solvation

Journal of Physical Chemistry B, 2011
Christopher Cramer, Donald Truhlar, Raphael F Ribeiro   +2 more
exaly  

Calculation of the Aqueous Solvation Free Energy of the Proton

Journal of Chemical Physics, 1998
Igor A Topol, R A Caldwell, S K Burt
exaly  

Calculation of Solvation Free Energies of Charged Solutes Using Mixed Cluster/Continuum Models

Journal of Physical Chemistry B, 2008
Vyacheslav S Bryantsev, William Andrew Goddard III   +1 more
exaly  

Solvation Free Energies of the Nucleic Acid Bases

The Journal of Physical Chemistry, 1996
Peter A Kollman
exaly  

Calculation of the Solvation Free Energy of Neutral and Ionic Molecules in Diverse Solvents

Journal of Chemical Information and Modeling, 2011
Kwang-Hwi Cho, Kyoung Tai No, Sehan Lee
exaly  

Absolute Single-Ion Solvation Free Energy Scale in Methanol Determined by the Lithium Cluster-Continuum Approach

Journal of Physical Chemistry B, 2013
Josefredo R Pliego, Elizabeth L M Miguel
exaly  

Ion Sizes and Finite-Size Corrections for Ionic-Solvation Free Energies

Journal of Chemical Physics, 1997
Gerhard Hummer, Angel E. García, Lawrence R. Pratt   +2 more
exaly  

Modelling free energy of solvation data

2004
openaire   +1 more source