Dopamine and Caffeine Encapsulation within Boron Nitride (14,0) Nanotubes: Classical Molecular Dynamics and First Principles Calculations

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Title
Dopamine and Caffeine Encapsulation within Boron Nitride (14,0) Nanotubes: Classical Molecular Dynamics and First Principles Calculations
Authors
Keywords
-
Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 122, Issue 22, Pages 5885-5896
Publisher
American Chemical Society (ACS)
Online
2018-05-15
DOI
10.1021/acs.jpcb.8b00116

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