Molecular Interactions From the Density Functional Theory for Chemical Reactivity: The Interaction Energy Between Two-Reagents

Reactivity descriptors indicate where a reagent is most reactive and how it is most likely to react. However, a reaction will only occur when the reagent encounters a suitable reaction partner. Determining whether a pair of reagents is well-matched requires developing reactivity rules that depend on...

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Detalles Bibliográficos
Autores principales: Miranda-Quintana, Ramón Alain, Heidar-Zadeh, Farnaz, Fias, Stijn, Chapman, Allison E. A., Liu, Shubin, Morell, Christophe, Gómez, Tatiana, Cárdenas, Carlos, Ayers, Paul W.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9234655/
https://www.ncbi.nlm.nih.gov/pubmed/35769444
http://dx.doi.org/10.3389/fchem.2022.906674

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9234655/
https://www.ncbi.nlm.nih.gov/pubmed/35769444
http://dx.doi.org/10.3389/fchem.2022.906674

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