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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...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2021
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| 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 |