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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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| Publicado no: | Int J Mol Sci |
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| Principais autores: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
MDPI
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6122091/ https://ncbi.nlm.nih.gov/pubmed/30096923 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijms19082346 |
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