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Reactants, products, and transition states of elementary chemical reactions based on quantum chemistry
Reaction times, activation energies, branching ratios, yields, and many other quantitative attributes are important for precise organic syntheses and generating detailed reaction mechanisms. Often, it would be useful to be able to classify proposed reactions as fast or slow. However, quantitative ch...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group UK
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7210263/ https://www.ncbi.nlm.nih.gov/pubmed/32385318 http://dx.doi.org/10.1038/s41597-020-0460-4 |