Understanding atomic bonding and electronic distributions of a DNA molecule using DFT calculation and BOLS-BC model

Deoxyribonucleic acid (DNA) is an important molecule that has been extensively researched, mainly due to its structure and function. Herein, we investigated the electronic behavior of the DNA molecule containing 1008 atoms using density functional theory. The bond-charge (BC) model shows the relatio...

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Detalles Bibliográficos
Autores principales: Deng, Anlin, Li, Hanze, Bo, Maolin, Huang, ZhongKai, Li, Lei, Yao, Chuang, Li, Fengqin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2020
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7475201/
https://www.ncbi.nlm.nih.gov/pubmed/32923699
http://dx.doi.org/10.1016/j.bbrep.2020.100804

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7475201/
https://www.ncbi.nlm.nih.gov/pubmed/32923699
http://dx.doi.org/10.1016/j.bbrep.2020.100804

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