Assessment of solvent effects on the interaction of Carmustine drug with the pristine and COOH-functionalized single-walled carbon nanotubes: A DFT perspective

Title
Assessment of solvent effects on the interaction of Carmustine drug with the pristine and COOH-functionalized single-walled carbon nanotubes: A DFT perspective
Authors
Keywords
Drug adsorption, DFT method, AIM, NBO, SWCNT, f, -SWCNT
Journal
JOURNAL OF MOLECULAR LIQUIDS
Volume 240, Issue -, Pages 87-97
Publisher
Elsevier BV
Online
2017-05-12
DOI
10.1016/j.molliq.2017.05.035

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