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Reaction Mechanism for Direct Proton Transfer from Carbonic Acid to a Strong Base in Aqueous Solution II: Solvent Coordinate-Dependent Reaction Path
The protonation of methylamine base CH(3)NH(2) by carbonic acid H(2)CO(3) within a hydrogen (H)-bonded complex in aqueous solution was studied via Car–Parrinello dynamics in the preceding paper (Daschakraborty, S.; Kiefer, P. M.; Miller, Y.; Motro, Y.; Pines, D.; Pines, E.; Hynes, J. T. J. Phys. Che...
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| Publicado no: | J Phys Chem B |
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| Main Authors: | , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2016
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5752105/ https://ncbi.nlm.nih.gov/pubmed/26876428 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.5b12744 |
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