Evaluation of Common Theoretical Methods for Predicting Infrared Multiphotonic Dissociation Vibrational Spectra of Intramolecular Hydrogen-Bonded Ions

[Image: see text] Infrared photodissociation analyses are supported by theoretical calculations that allow a trustworthy interpretation of experimental spectra of gaseous ions. B3LYP calculations are the most prominent method used to model IR spectra, as detailed in our bibliographic survey. However...

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Detalles Bibliográficos
Autores principales: Rodrigues-Oliveira, André F., M. Ribeiro, Francisco W., Cervi, Gustavo, C. Correra, Thiago
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2018
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6644661/
https://www.ncbi.nlm.nih.gov/pubmed/31459042
http://dx.doi.org/10.1021/acsomega.8b00815

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6644661/
https://www.ncbi.nlm.nih.gov/pubmed/31459042
http://dx.doi.org/10.1021/acsomega.8b00815

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