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Predicting the Reactivity of Nitrile-Carrying Compounds with Cysteine: A Combined Computational and Experimental Study
[Image: see text] Here, we report on a mechanistic investigation based on DFT calculations and kinetic measures aimed at determining the energetics related to the cysteine nucleophilic attack on nitrile-carrying compounds. Activation energies were found to correlate well with experimental kinetic me...
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| Autors principals: | , , , , , , |
|---|---|
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
American Chemical
Society
2014
|
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4027605/ https://ncbi.nlm.nih.gov/pubmed/24900869 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ml400489b |
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