Scaled in Cartesian Coordinates Ab Initio Molecular Force Fields of DNA Bases: Application to Canonical Pairs

The model of Regularized Quantum Mechanical Force Field (RQMFF) was applied to the joint treatment of ab initio and experimental vibrational data of the four primary nucleobases using a new algorithm based on the scaling procedure in Cartesian coordinates. The matrix of scaling factors in Cartesian...

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Detalles Bibliográficos
Autores principales: Kochikov, Igor, Stepanova, Anna, Kuramshina, Gulnara
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8779963/
https://www.ncbi.nlm.nih.gov/pubmed/35056743
http://dx.doi.org/10.3390/molecules27020427

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8779963/
https://www.ncbi.nlm.nih.gov/pubmed/35056743
http://dx.doi.org/10.3390/molecules27020427

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