Adsorption behaviour of chronic blistering agents on graphdiyne; excellent correlation among SAPT, reduced density gradient (RDG) and QTAIM analyses

Published 2020 View Full Article

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Title
Adsorption behaviour of chronic blistering agents on graphdiyne; excellent correlation among SAPT, reduced density gradient (RDG) and QTAIM analyses
Authors
Keywords
Graphdiyne, Blistering agents, QTAIM, Symmetry adopted perturbation, Reduced density gradient
Journal
JOURNAL OF MOLECULAR LIQUIDS
Volume 316, Issue -, Pages 113860
Publisher
Elsevier BV
Online
2020-07-20
DOI
10.1016/j.molliq.2020.113860

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