Calculation of the Free Energy of Polarization: Quantifying the Effect of Explicitly Treating Electronic Polarization on the Transferability of Force-Field Parameters
Geerke, Daan P., van Gunsteren, Wilfred F.Volume:
111
Language:
english
Journal:
The Journal of Physical Chemistry B
DOI:
10.1021/jp0706477
Date:
June, 2007
File:
PDF, 308 KB
english, 2007