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Amino Acid Analogue-Conjugated BN Nanomaterials in a Solvated Phase: First Principles Study of Topology-Dependent Interactions with a Monolayer and a (5,0) Nanotube

[Image: see text] Using density functional theory and an implicit solvation model, the relationship between the topology of boron nitride (BN) nanomaterials and the protonated/deprotonated states of amino acid analogues is investigated. In the solvated phase, the calculated results show distinct “ph...

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Detalles Bibliográficos
Autores principales: Waters, Kevin, Pandey, Ravindra, Karna, Shashi P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2017
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6641042/
https://www.ncbi.nlm.nih.gov/pubmed/31457210
http://dx.doi.org/10.1021/acsomega.6b00321