Optical Properties of Silver-Mediated DNA from Molecular Dynamics and Time Dependent Density Functional Theory

We report a combined quantum mechanics/molecular mechanics (QM/MM) molecular dynamics and time-dependent density functional (TDDFT) study of metal-mediated deoxyribonucleic acid (M-DNA) nanostructures. For the Ag [Formula: see text]-mediated guanine tetramer, we found the maug-cc-pvdz basis set to b...

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Detalles Bibliográficos
Autores principales: Makkonen, Esko, Rinke, Patrick, Lopez-Acevedo, Olga, Chen, Xi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6122091/
https://www.ncbi.nlm.nih.gov/pubmed/30096923
http://dx.doi.org/10.3390/ijms19082346

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6122091/
https://www.ncbi.nlm.nih.gov/pubmed/30096923
http://dx.doi.org/10.3390/ijms19082346

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