A theoretical investigation of the competition between hydrogen bonding and lone pair⋯π interaction in complexes of TNT with NH3

Published 2015 View Full Article

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Title
A theoretical investigation of the competition between hydrogen bonding and lone pair⋯π interaction in complexes of TNT with NH3
Authors
Keywords
Hydrogen bond, Lone pair⋯π interaction, 2,4,6-Trinitrotoluene, Ammonia, MP2 theory, Density functional theory
Journal
Computational and Theoretical Chemistry
Volume 1064, Issue -, Pages 25-34
Publisher
Elsevier BV
Online
2015-05-03
DOI
10.1016/j.comptc.2015.04.006

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