+++статьи из ScienceDirect и J. Computational Chemistry

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1. Computation of hydration free energies of organic solutes with an implicit water model
Mikhail V. Basilevsky, Igor V. Leontyev, Sofia V. Luschekina, Olga A. Kondakova, Vladimir B. Sulimov
Journal of Computational Chemistry Volume 27, Issue 5, pages 552–570, 15 April 2006

DOI:

http://dx.doi.org/10.1002/jcc.20332

ScienceDirect
2. Theoretical studies of the solvent effect on conformational equilibria and atomic charges for isolated and hydrogen-bonded dimethoxy thiadiazoles
Peter I. Nagy, Frederick R. Tejada, Yong-Wah Kim and William S. Messer Jr.
Computational and Theoretical Chemistry, Volume 966, Issues 1-3, June 2011, Pages 194-206

DOI:

http://dx.doi.org/10.1016/j.comptc.2011.02.034

3. Cavity shape effect on pKa prediction of small amines
R. Behjatmanesh-Ardakani, M.A. Karimi and A. Ebady
Journal of Molecular Structure: THEOCHEM, Volume 910, Issues 1-3, 30 September 2009, Pages 99-103

DOI:

http://dx.doi.org/10.1016/j.theochem.2009.06.019

4. Optimization of molecular cavities in the PCM of neutral molecules using charge dependent atomic radii: applications to the semi-empirical AM1 and MNDO/PM3 methods
Paulo F. B. Gonçalves and Paolo R. Livotto
Chemical Physics Letters, Volume 304, Issues 5-6, 7 May 1999, Pages 438-444

DOI:

http://dx.doi.org/10.1016/S0009-2614(99)00341-3

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