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Autor:
Kupervasser, Oleg, Zhabin, S. N., Martynov, Ya. B., Fedulov, K. M., Oferkin, I. F., Sulimov, A. V., Sulimov, V. B.
Publikováno v:
Numerical Methods and Programming, V.12, P.246-261 (2011)
Several implicit (continuum) solvent models are considered: the Polarized Continuum Model (PCM), the Surface Generalized Born model (SGB), and the COnductor-like Screening model (COSMO) as well as their implementation in the form of the DISOLV progra
Externí odkaz:
http://arxiv.org/abs/1107.0404
