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van der Waals interactions are critical in Car-Parrinello molecular dynamics simulations of porphyrin-fullerene dyads
Karilainen, Topi, Cramariuc, Oana, Kuisma, Mikael, Tappura, Kirsi, Hukka, Terttu I.Volume:
36
Language:
english
Journal:
Journal of Computational Chemistry
DOI:
10.1002/jcc.23834
Date:
April, 2015
File:
PDF, 841 KB
english, 2015