Selection and Validation of Charge and Lennard-Jones Parameters for QM/MM Simulations of Hydrocarbon Interactions with Zeolites

Published 2011 View Full Article

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Title
Selection and Validation of Charge and Lennard-Jones Parameters for QM/MM Simulations of Hydrocarbon Interactions with Zeolites
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 7, Issue 6, Pages 1695-1703
Publisher
American Chemical Society (ACS)
Online
2011-05-21
DOI
10.1021/ct2001655

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