Re: +++статьи из J.Phys. Chem. и J. Computational Chemistry

[fuxiya]

1. An AM1-SCRF approach to the study of changes in molecular properties induced by solvent
F. J. Luque, M. J. Negre, Modesto Orozco
J. Phys. Chem., 1993, 97 (17), pp 4386–4391

DOI:

http://dx.doi.org/10.1021/j100119a022

2. Solvent Effects in Chloroform Solution: Parametrization of the MST/SCRF Continuum Model
F. J. Luque, Y. Zhang, C. Alemán, M. Bachs, J. Gao, and M. Orozco
J. Phys. Chem., 1996, 100 (10), pp 4269–4276

DOI:

http://dx.doi.org/10.1021/jp9529331

3. Extension of MST/SCRF method to organic solvents: Ab initio and semiempirical parametrization for neutral solutes in CCl₄
F. J. Luque, M. Bachs,C. Alemán, Modesto Orozco
Volume 17, Issue 7, pages 806–820, May 1996

DOI:

http://dx.doi.org/10.1002/(SICI)1096-987X(199605)17:7<806::AID-JCC5>3.0.CO;2-W

4. Calculating solvation energies by means of a fluctuating charge model combined with continuum solvent model
Dong-Xia Zhao, Ling Yu, Li-Dong Gong, Cui Liu, and Zhong-Zhi Yang
J. Chem. Phys. 134, 194115 (2011);

DOI:

http://dx.doi.org/10.1063/1.3590718

Заранее спасибо!

[sylvio]

[fuxiya]

Спасибо!!!!!