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3D Information-Theoretic Analysis of the Simplest Hydrogen Abstraction Reaction

[Image: see text] We investigate the course of an elementary chemical reaction from the perspective of information theory in 3D space through the hypersurface of several information-theoretic (IT) functionals such as disequilibrium (D), Shannon entropy (S), Fisher information (I), and the complexity...

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Detalles Bibliográficos
Autores principales: Esquivel, Rodolfo O., Molina-Espíritu, Moyocoyani, López-Rosa, Sheila
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10405223/
https://www.ncbi.nlm.nih.gov/pubmed/37477987
http://dx.doi.org/10.1021/acs.jpca.3c01957

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