187 related articles for article (PubMed ID: 22143756)
1. On the recombination of hydronium and hydroxide ions in water.
Hassanali A; Prakash MK; Eshet H; Parrinello M
Proc Natl Acad Sci U S A; 2011 Dec; 108(51):20410-5. PubMed ID: 22143756
[TBL] [Abstract][Full Text] [Related]
2. Proton transfer through hydrogen bonds in two-dimensional water layers: a theoretical study based on ab initio and quantum-classical simulations.
Bankura A; Chandra A
J Chem Phys; 2015 Jan; 142(4):044701. PubMed ID: 25637997
[TBL] [Abstract][Full Text] [Related]
3. Comparative proton transfer efficiencies of hydronium and hydroxide in aqueous solution: proton transfer vs Brownian motion.
Uddin N; Kim J; Sung BJ; Choi TH; Choi CH; Kang H
J Phys Chem B; 2014 Nov; 118(47):13671-8. PubMed ID: 25365595
[TBL] [Abstract][Full Text] [Related]
4. Structural and dynamic properties of solvated hydroxide and hydronium ions in water from ab initio modeling.
Liu R; Zhang C; Liang X; Liu J; Wu X; Chen M
J Chem Phys; 2022 Jul; 157(2):024503. PubMed ID: 35840383
[TBL] [Abstract][Full Text] [Related]
5. Ab initio molecular dynamics study of the mechanism of proton recombination with a weak base.
Cuny J; Hassanali AA
J Phys Chem B; 2014 Dec; 118(48):13903-12. PubMed ID: 25415885
[TBL] [Abstract][Full Text] [Related]
6. Acid/base catalysis by pure water: the aldol reaction.
Zhang X; Houk KN
J Org Chem; 2005 Nov; 70(24):9712-6. PubMed ID: 16292798
[TBL] [Abstract][Full Text] [Related]
7. Hydrated interfacial ions and electrons.
Abel B
Annu Rev Phys Chem; 2013; 64():533-52. PubMed ID: 23561010
[TBL] [Abstract][Full Text] [Related]
8. Why are water-hydrophobic interfaces charged?
Kudin KN; Car R
J Am Chem Soc; 2008 Mar; 130(12):3915-9. PubMed ID: 18311970
[TBL] [Abstract][Full Text] [Related]
9. Introducing titratable water to all-atom molecular dynamics at constant pH.
Chen W; Wallace JA; Yue Z; Shen JK
Biophys J; 2013 Aug; 105(4):L15-7. PubMed ID: 23972860
[TBL] [Abstract][Full Text] [Related]
10. Surface affinity of the hydronium ion: the effective fragment potential and umbrella sampling.
Brorsen KR; Pruitt SR; Gordon MS
J Phys Chem B; 2014 Dec; 118(49):14382-7. PubMed ID: 25418843
[TBL] [Abstract][Full Text] [Related]
11. Concerted hydrogen-bond dynamics in the transport mechanism of the hydrated proton: a first-principles molecular dynamics study.
Berkelbach TC; Lee HS; Tuckerman ME
Phys Rev Lett; 2009 Dec; 103(23):238302. PubMed ID: 20366181
[TBL] [Abstract][Full Text] [Related]
12. The ion sensitivity of surface conductive single crystalline diamond.
Härtl A; Garrido JA; Nowy S; Zimmermann R; Werner C; Horinek D; Netz R; Stutzmann M
J Am Chem Soc; 2007 Feb; 129(5):1287-92. PubMed ID: 17263412
[TBL] [Abstract][Full Text] [Related]
13. Hydroxide ion can move faster than an excess proton through one-dimensional water chains in hydrophobic narrow pores.
Bankura A; Chandra A
J Phys Chem B; 2012 Aug; 116(32):9744-57. PubMed ID: 22793519
[TBL] [Abstract][Full Text] [Related]
14. Ab initio metadynamics study on hydronium ion dynamics at acid-functionalized interfaces: effect of surface group density.
Vartak S; Golovnev A; Roudgar A; Eikerling M
Phys Chem Chem Phys; 2014 Nov; 16(43):24099-107. PubMed ID: 25289546
[TBL] [Abstract][Full Text] [Related]
15. Hydroxide and proton migration in aquaporins.
Jensen MØ; Röthlisberger U; Rovira C
Biophys J; 2005 Sep; 89(3):1744-59. PubMed ID: 15951380
[TBL] [Abstract][Full Text] [Related]
16. Proton transfer and the mobilities of the H+ and OH- ions from studies of a dissociating model for water.
Lee SH; Rasaiah JC
J Chem Phys; 2011 Sep; 135(12):124505. PubMed ID: 21974533
[TBL] [Abstract][Full Text] [Related]
17. Ab initio molecular dynamics studies of the liquid-vapor interface of an HCl solution.
Lee HS; Tuckerman ME
J Phys Chem A; 2009 Mar; 113(10):2144-51. PubMed ID: 19195992
[TBL] [Abstract][Full Text] [Related]
18. A first principles molecular dynamics study of the solvation structure and migration kinetics of an excess proton and a hydroxide ion in binary water-ammonia mixtures.
Bankura A; Chandra A
J Chem Phys; 2012 Mar; 136(11):114509. PubMed ID: 22443779
[TBL] [Abstract][Full Text] [Related]
19. Proton transfer through the water gossamer.
Hassanali A; Giberti F; Cuny J; Kühne TD; Parrinello M
Proc Natl Acad Sci U S A; 2013 Aug; 110(34):13723-8. PubMed ID: 23868853
[TBL] [Abstract][Full Text] [Related]
20. The effect of hydronium ions on the structure of phospholipid membranes.
Deplazes E; Poger D; Cornell B; Cranfield CG
Phys Chem Chem Phys; 2017 Dec; 20(1):357-366. PubMed ID: 29210387
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]