These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
245 related articles for article (PubMed ID: 27218455)
21. Adsorption Properties of Triethylene Glycol on a Hydrated {101̅4} Calcite Surface and Its Effect on Adsorbed Water. Olsen R; Leirvik KN; Kvamme B; Kuznetsova T Langmuir; 2015 Aug; 31(31):8606-17. PubMed ID: 26161580 [TBL] [Abstract][Full Text] [Related]
22. A first principles theoretical study of vibrational spectral diffusion and hydrogen bond dynamics in aqueous ionic solutions: D2O in hydration shells of Cl(-) ions. Mallik BS; Semparithi A; Chandra A J Chem Phys; 2008 Nov; 129(19):194512. PubMed ID: 19026071 [TBL] [Abstract][Full Text] [Related]
23. The self-consistent charge density functional tight binding method applied to liquid water and the hydrated excess proton: benchmark simulations. Maupin CM; Aradi B; Voth GA J Phys Chem B; 2010 May; 114(20):6922-31. PubMed ID: 20426461 [TBL] [Abstract][Full Text] [Related]
24. Structure and dynamics of the hydration shells of the Zn(2+) ion from ab initio molecular dynamics and combined ab initio and classical molecular dynamics simulations. Cauët E; Bogatko S; Weare JH; Fulton JL; Schenter GK; Bylaska EJ J Chem Phys; 2010 May; 132(19):194502. PubMed ID: 20499974 [TBL] [Abstract][Full Text] [Related]
25. The curious case of the hydrated proton. Knight C; Voth GA Acc Chem Res; 2012 Jan; 45(1):101-9. PubMed ID: 21859071 [TBL] [Abstract][Full Text] [Related]
26. Ab initio and classical molecular dynamics studies of the structural and dynamical behavior of water near a hydrophobic graphene sheet. Rana MK; Chandra A J Chem Phys; 2013 May; 138(20):204702. PubMed ID: 23742495 [TBL] [Abstract][Full Text] [Related]
27. On the Intramolecular Hydrogen Bond in Solution: Car-Parrinello and Path Integral Molecular Dynamics Perspective. Dopieralski P; Perrin CL; Latajka Z J Chem Theory Comput; 2011 Nov; 7(11):3505-13. PubMed ID: 26598249 [TBL] [Abstract][Full Text] [Related]
28. A first principles molecular dynamics study of lithium atom solvation in binary liquid mixture of water and ammonia: structural, electronic, and dynamical properties. Pratihar S; Chandra A J Chem Phys; 2011 Jan; 134(2):024519. PubMed ID: 21241132 [TBL] [Abstract][Full Text] [Related]
29. Solvation structure of hydroxyl radical by Car-Parrinello molecular dynamics. Khalack JM; Lyubartsev AP J Phys Chem A; 2005 Jan; 109(2):378-86. PubMed ID: 16833356 [TBL] [Abstract][Full Text] [Related]
30. Proton transfer from the inactive gas-phase nicotine structure to the bioactive aqueous-phase structure. Gaigeot MP; Cimas A; Seydou M; Kim JY; Lee S; Schermann JP J Am Chem Soc; 2010 Dec; 132(51):18067-77. PubMed ID: 21141855 [TBL] [Abstract][Full Text] [Related]
31. Analysis of Correlated Dynamics in the Grotthuss Mechanism of Proton Diffusion. Fischer SA; Gunlycke D J Phys Chem B; 2019 Jul; 123(26):5536-5544. PubMed ID: 31180658 [TBL] [Abstract][Full Text] [Related]
32. An improved multistate empirical valence bond model for aqueous proton solvation and transport. Wu Y; Chen H; Wang F; Paesani F; Voth GA J Phys Chem B; 2008 Jan; 112(2):467-82. PubMed ID: 17999484 [TBL] [Abstract][Full Text] [Related]
33. A statistical mechanical theory of proton transport kinetics in hydrogen-bonded networks based on population correlation functions with applications to acids and bases. Tuckerman ME; Chandra A; Marx D J Chem Phys; 2010 Sep; 133(12):124108. PubMed ID: 20886925 [TBL] [Abstract][Full Text] [Related]
34. Multistate Reactive Molecular Dynamics Simulations of Proton Diffusion in Water Clusters and in the Bulk. Xu ZH; Meuwly M J Phys Chem B; 2019 Nov; 123(46):9846-9861. PubMed ID: 31647873 [TBL] [Abstract][Full Text] [Related]
35. Structure, dynamics, and reactivity of hydrated electrons by ab initio molecular dynamics. Marsalek O; Uhlig F; VandeVondele J; Jungwirth P Acc Chem Res; 2012 Jan; 45(1):23-32. PubMed ID: 21899274 [TBL] [Abstract][Full Text] [Related]
36. Lifetimes of excess protons in water using a dissociative water potential. Lockwood GK; Garofalini SH J Phys Chem B; 2013 Apr; 117(15):4089-97. PubMed ID: 23565831 [TBL] [Abstract][Full Text] [Related]
38. Insights into the Solvation and Mobility of the Hydroxyl Radical in Aqueous Solution. Codorniu-Hernández E; Kusalik PG J Chem Theory Comput; 2011 Nov; 7(11):3725-32. PubMed ID: 26598267 [TBL] [Abstract][Full Text] [Related]
39. Dynamics of Water in the Solvation Shell of an Iodate Ion: A Born-Oppenheimer Molecular Dynamics Study. Sharma B; Chandra A J Phys Chem B; 2020 Apr; 124(13):2618-2631. PubMed ID: 32150681 [TBL] [Abstract][Full Text] [Related]
40. Ab Initio Molecular Dynamics Simulations of Aqueous Glucosamine Solutions: Solvation Structure and Mechanism of Proton Transfer from Water to Amino Group. Camargo LTFM; Signini R; Rodrigues ACC; Lopes YF; Camargo AJ J Phys Chem B; 2020 Aug; 124(32):6986-6997. PubMed ID: 32662648 [TBL] [Abstract][Full Text] [Related] [Previous] [Next] [New Search]