LCAO Electronic Structure of Nucleic Acid Bases and Other Heterocycles and Transfer Integrals in B-DNA, Including Structural Variability

To describe the molecular electronic structure of nucleic acid bases and other heterocycles, we employ the Linear Combination of Atomic Orbitals (LCAO) method, considering the molecular wave function as a linear combination of all valence orbitals, i.e., 2s, 2p [Formula: see text] , 2p [Formula: see...

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Detalles Bibliográficos
Autores principales: Mantela, Marilena, Simserides, Constantinos, Di Felice, Rosa
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8434186/
https://www.ncbi.nlm.nih.gov/pubmed/34501020
http://dx.doi.org/10.3390/ma14174930

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8434186/
https://www.ncbi.nlm.nih.gov/pubmed/34501020
http://dx.doi.org/10.3390/ma14174930

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