A new smoothing function to introduce long-range electrostatic effects in QM/MM calculations
Fang, Dong, Duke, Robert E., Cisneros, G. AndrésVolume:
143
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.4926652
Date:
July, 2015
File:
PDF, 2.11 MB
english, 2015