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"CPMD/GULP QM/MM interface for modeling periodic solids: Implementation and ..."

Sudhir K. Sahoo, Nisanth N. Nair (2016)

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DOI: 10.1002/JCC.24379

access: closed

type: Journal Article

metadata version: 2021-10-14

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Sudhir K. Sahoo, Nisanth N. Nair:
CPMD/GULP QM/MM interface for modeling periodic solids: Implementation and its application in the study of Y-zeolite supported Rh_n clusters. J. Comput. Chem. 37(18): 1657-1667 (2016)

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