Multiconfigurational Quantum Chemistry Determinations of Absorption Cross Sections (σ) in the Gas Phase and Molar Extinction Coefficients (ε) in Aqueous Solution and Air–Water Interface

[Image: see text] Theoretical determinations of absorption cross sections (σ) in the gas phase and molar extinction coefficients (ε) in condensed phases (water solution, interfaces or surfaces, protein or nucleic acids embeddings, etc.) are of interest when rates of photochemical processes, J = ∫ ϕ(...

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Detalles Bibliográficos
Autores principales: Borrego-Sánchez, Ana, Zemmouche, Madjid, Carmona-García, Javier, Francés-Monerris, Antonio, Mulet, Pep, Navizet, Isabelle, Roca-Sanjuán, Daniel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8444339/
https://www.ncbi.nlm.nih.gov/pubmed/33974417
http://dx.doi.org/10.1021/acs.jctc.0c01083

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8444339/
https://www.ncbi.nlm.nih.gov/pubmed/33974417
http://dx.doi.org/10.1021/acs.jctc.0c01083

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