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Reaction Pathway and Free Energy Barrier for Urea Elimination in Aqueous Solution
To accurately predict the free energy barrier for urea elimination in aqueous solution, we examined the reaction coordinates for the direct and water-assisted elimination pathways, and evaluated the corresponding free energy barriers by using the surface and volume polarization for electrostatics (S...
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| I publikationen: | Chem Phys Lett |
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| Huvudupphovsmän: | , , |
| Materialtyp: | Artigo |
| Språk: | Inglês |
| Publicerad: |
2015
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| Ämnen: | |
| Länkar: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4371214/ https://ncbi.nlm.nih.gov/pubmed/25821238 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.cplett.2015.02.048 |
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