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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| 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 |