Development and Validation of a Parameter-Free Model Chemistry for the Computation of Reliable Reaction Rates

[Image: see text] A recently developed model chemistry (jun-Cheap) has been slightly modified and proposed as an effective, reliable, and parameter-free scheme for the computation of accurate reaction rates with special reference to astrochemical and atmospheric processes. Benchmarks with different...

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Detalles Bibliográficos
Autores principales: Barone, Vincenzo, Lupi, Jacopo, Salta, Zoi, Tasinato, Nicola
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8359010/
https://www.ncbi.nlm.nih.gov/pubmed/34228935
http://dx.doi.org/10.1021/acs.jctc.1c00406

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8359010/
https://www.ncbi.nlm.nih.gov/pubmed/34228935
http://dx.doi.org/10.1021/acs.jctc.1c00406

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