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Selection and Validation of Charge and Lennard-Jones Parameters for QM/MM Simulations of Hydrocarbon Interactions with Zeolites
Zimmerman, Paul M., Head-Gordon, Martin, Bell, Alexis T.Volume:
7
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct2001655
Date:
June, 2011
File:
PDF, 2.59 MB
english, 2011