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Exploring Adsorption of Water and Ions on Carbon Surfaces using a Polarizable Force Field

Graphene, carbon nanotubes, and fullerenes are of great interest due to their unique properties and diverse applications in biology, molecular electronics, and materials science. Therefore, there is demand for methods that can accurately model the interface between carbon surfaces and their environm...

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Detalhes bibliográficos
Main Authors: Schyman, Patric, Jorgensen, William L.
Formato: Artigo
Idioma:Inglês
Publicado em: 2013
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3579643/
https://ncbi.nlm.nih.gov/pubmed/23440601
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jz302085c
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