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CPMD/GULP QM/MM interface for modeling periodic solids: Implementation and its application in the study of Y-zeolite supported Rh n clusters
Sahoo, Sudhir K., Nair, Nisanth N.Volume:
37
Language:
english
Journal:
Journal of Computational Chemistry
DOI:
10.1002/jcc.24379
Date:
July, 2016
File:
PDF, 900 KB
english, 2016