Accurate Treatment of Electrostatics during Molecular Adsorption in Nanoporous Crystals without Assigning Point Charges to Framework Atoms

Published 2011 View Full Article

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Title
Accurate Treatment of Electrostatics during Molecular Adsorption in Nanoporous Crystals without Assigning Point Charges to Framework Atoms
Authors
Keywords
-
Journal
Journal of Physical Chemistry C
Volume 115, Issue 11, Pages 4824-4836
Publisher
American Chemical Society (ACS)
Online
2011-03-02
DOI
10.1021/jp201075u

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