Benchmark calculations for bond dissociation energies and enthalpy of formation of chlorinated and brominated polycyclic aromatic hydrocarbons

Thermodynamic properties, i.e., bond dissociation energies and enthalpy of formation, of chlorinated and brominated polycyclic aromatic hydrocarbons play a fundamental role in understanding their formation mechanisms and reactivity. Computational electronic structure calculations routinely used to p...

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Detalles Bibliográficos
Autores principales: Xu, Shenying, Wang, Quan-De, Sun, Mao-Mao, Yin, Guoliang, Liang, Jinhu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9040899/
https://www.ncbi.nlm.nih.gov/pubmed/35479574
http://dx.doi.org/10.1039/d1ra05391d

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9040899/
https://www.ncbi.nlm.nih.gov/pubmed/35479574
http://dx.doi.org/10.1039/d1ra05391d

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