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How Acidic Is Carbonic Acid?
Pines D, Ditkovich J, Mukra T, Miller Y, Kiefer PM, Daschakraborty S, Hynes JT, Pines E. Pines D, et al. Among authors: daschakraborty s. J Phys Chem B. 2016 Mar 10;120(9):2440-51. doi: 10.1021/acs.jpcb.5b12428. Epub 2016 Feb 29. J Phys Chem B. 2016. PMID: 26862781 Free PMC article.
Reaction Mechanism for Direct Proton Transfer from Carbonic Acid to a Strong Base in Aqueous Solution II: Solvent Coordinate-Dependent Reaction Path.
Daschakraborty S, Kiefer PM, Miller Y, Motro Y, Pines D, Pines E, Hynes JT. Daschakraborty S, et al. J Phys Chem B. 2016 Mar 10;120(9):2281-90. doi: 10.1021/acs.jpcb.5b12744. Epub 2016 Mar 2. J Phys Chem B. 2016. PMID: 26876428 Free PMC article.
The protonation of methylamine base CH3NH2 by carbonic acid H2CO3 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.; …
The protonation of methylamine base CH3NH2 by carbonic acid H2CO3 within a hydrogen (H)-bonded complex in aqueous solution was studied via C …
Intact carbonic acid is a viable protonating agent for biological bases.
Aminov D, Pines D, Kiefer PM, Daschakraborty S, Hynes JT, Pines E. Aminov D, et al. Among authors: daschakraborty s. Proc Natl Acad Sci U S A. 2019 Oct 15;116(42):20837-20843. doi: 10.1073/pnas.1909498116. Epub 2019 Sep 30. Proc Natl Acad Sci U S A. 2019. PMID: 31570591 Free PMC article.
Importance of Solvents' Translational-Rotational Coupling for Translational Jump of a Small Hydrophobic Solute in Supercooled Water.
Dubey V, Kumar N, Daschakraborty S. Dubey V, et al. Among authors: daschakraborty s. J Phys Chem B. 2018 Aug 2;122(30):7569-7583. doi: 10.1021/acs.jpcb.8b03177. Epub 2018 Jul 23. J Phys Chem B. 2018. PMID: 30001131
Despite clear evidence of sudden translational jump occurrence of a solute in supercooled water, a detailed mechanism of this jump is still lacking. A previous work [ Indra , S. ; Daschakraborty , S. Chem. Phys. Lett. 2017 , 685 , 322 - 327 ] put forward a me …
Despite clear evidence of sudden translational jump occurrence of a solute in supercooled water, a detailed mechanism of this jump is still …
44 results