Photophysical Deactivation Mechanisms of the Pyrimidine Analogue 1-Cyclohexyluracil

The photophysical relaxation mechanisms of 1-cyclohexyluracil, in vacuum and water, were investigated by employing the Multi-State CASPT2 (MS-CASPT2, Multi-State Complete Active-Space Second-Order Perturbation Theory) quantum chemical method and Dunning’s cc-pVDZ basis sets. In both environments, ou...

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Detalles Bibliográficos
Autores principales: Valverde, Danillo, de Araújo, Adalberto V. S., Borin, Antonio Carlos
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8434193/
https://www.ncbi.nlm.nih.gov/pubmed/34500625
http://dx.doi.org/10.3390/molecules26175191

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8434193/
https://www.ncbi.nlm.nih.gov/pubmed/34500625
http://dx.doi.org/10.3390/molecules26175191

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