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A comparison between QM/MM and QM/QM based fitting of condensed-phase atomic polarizabilities
Vosmeer, C. Ruben, Kiewisch, Karin, Keijzer, Karlijn, Visscher, Lucas, Geerke, Daan P.Volume:
16
Language:
english
Journal:
Physical Chemistry Chemical Physics
DOI:
10.1039/c4cp02401j
Date:
July, 2014
File:
PDF, 1.33 MB
english, 2014