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Arginine interactions with anatase TiO(2) (100) surface and the perturbation of (49)Ti NMR chemical shifts – a DFT investigation: relevance to Renu-Seeram bio solar cell

Density functional theoretical calculations have been utilized to investigate the interaction of the amino acid arginine with the (100) surface of anatase and the reproduction of experimentally measured (49)Ti NMR chemical shifts of anatase. Significant binding of arginine through electrostatic inte...

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Detalles Bibliográficos
Autores principales: Koch, Rainer, Lipton, Andrew S., Filipek, Slawomir, Renugopalakrishnan, Venkatesan
Formato: Texto
Lenguaje:English
Publicado: Springer-Verlag 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3102192/
https://www.ncbi.nlm.nih.gov/pubmed/20853182
http://dx.doi.org/10.1007/s00894-010-0853-y