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Inverse Temperature Dependence of Nuclear Quantum Effects in DNA Base Pairs
[Image: see text] Despite the inherently quantum mechanical nature of hydrogen bonding, it is unclear how nuclear quantum effects (NQEs) alter the strengths of hydrogen bonds. With this in mind, we use ab initio path integral molecular dynamics to determine the absolute contribution of NQEs to the b...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2016
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4933496/ https://www.ncbi.nlm.nih.gov/pubmed/27195654 http://dx.doi.org/10.1021/acs.jpclett.6b00777 |