Solvation Effects on the Static and Dynamic First-Order Electronic and Vibrational Hyperpolarizabilities of Uracil: A Polarized Continuum Model Investigation

Electronic (β (e)) and vibrational (β (v)) first-order hyperpolarizabilities of uracil were determined in gas and water solution using the Coulomb-attenuating Density Functional Theory level with the Dunning's correlation-consistent aug-cc-pVDZ basis set. Frequency-dependent β (e) values were c...

Descripción completa

Detalles Bibliográficos
Autor principal: Alparone, Andrea
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Hindawi Publishing Corporation 2013
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3885316/
https://www.ncbi.nlm.nih.gov/pubmed/24453886
http://dx.doi.org/10.1155/2013/652124

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3885316/
https://www.ncbi.nlm.nih.gov/pubmed/24453886
http://dx.doi.org/10.1155/2013/652124

Ejemplares similares