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Chemical reaction mechanisms in solution from brute force computational Arrhenius plots
Decomposition of activation free energies of chemical reactions, into enthalpic and entropic components, can provide invaluable signatures of mechanistic pathways both in solution and in enzymes. Owing to the large number of degrees of freedom involved in such condensed-phase reactions, the extensiv...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Pub. Group
2015
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4458863/ https://www.ncbi.nlm.nih.gov/pubmed/26028237 http://dx.doi.org/10.1038/ncomms8293 |