585 related articles for article (PubMed ID: 16164352)
21. Long-range influence of carbohydrates on the solvation dynamics of water--answers from terahertz absorption measurements and molecular modeling simulations.
Heyden M; Bründermann E; Heugen U; Niehues G; Leitner DM; Havenith M
J Am Chem Soc; 2008 Apr; 130(17):5773-9. PubMed ID: 18393415
[TBL] [Abstract][Full Text] [Related]
22. Polarization and charge-transfer effects in aqueous solution via ab initio QM/MM simulations.
Mo Y; Gao J
J Phys Chem B; 2006 Feb; 110(7):2976-80. PubMed ID: 16494296
[TBL] [Abstract][Full Text] [Related]
23. Halothane solvation in water and organic solvents from molecular simulations with new polarizable potential function.
Subbotina JO; Johannes J; Lev B; Noskov SY
J Phys Chem B; 2010 May; 114(19):6401-8. PubMed ID: 20411978
[TBL] [Abstract][Full Text] [Related]
24. Microsolvation of the sodium and iodide ions and their ion pair in acetonitrile clusters: a theoretical study.
Nguyen TN; Hughes SR; Peslherbe GH
J Phys Chem B; 2008 Jan; 112(2):621-35. PubMed ID: 18183958
[TBL] [Abstract][Full Text] [Related]
25. A coupled Car-Parrinello molecular dynamics and EXAFS data analysis investigation of aqueous Co(2+).
Spezia R; Duvail M; Vitorge P; Cartailler T; Tortajada J; Chillemi G; D'Angelo P; Gaigeot MP
J Phys Chem A; 2006 Dec; 110(48):13081-8. PubMed ID: 17134169
[TBL] [Abstract][Full Text] [Related]
26. RNA solvation: a molecular dynamics simulation perspective.
Auffinger P; Westhof E
Biopolymers; 2000-2001; 56(4):266-74. PubMed ID: 11754340
[TBL] [Abstract][Full Text] [Related]
27. Preferred conformation of the glycosidic linkage of methyl-beta-mannose.
Coskuner O
J Chem Phys; 2007 Jul; 127(1):015101. PubMed ID: 17627368
[TBL] [Abstract][Full Text] [Related]
28. Are there immobilized water molecules around hydrophobic groups? Aqueous solvation of methanol from first principles.
Silvestrelli PL
J Phys Chem B; 2009 Aug; 113(31):10728-31. PubMed ID: 19606832
[TBL] [Abstract][Full Text] [Related]
29. How strongly can calcium ion influence the hydrogen-bond dynamics at complex aqueous interfaces?
Senapati S
J Chem Phys; 2007 May; 126(20):204710. PubMed ID: 17552792
[TBL] [Abstract][Full Text] [Related]
30. 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]
31. Solvation shell structure of cyclooctylpyranone in water solvent and its comparative structure, dynamics and dipole moment in HIV protease.
Arul Murugan N; Chandra Jha P; Agren H
Phys Chem Chem Phys; 2009 Aug; 11(30):6482-9. PubMed ID: 19809680
[TBL] [Abstract][Full Text] [Related]
32. Structure of large nitrate-water clusters at ambient temperatures: simulations with effective fragment potentials and force fields with implications for atmospheric chemistry.
Miller Y; Thomas JL; Kemp DD; Finlayson-Pitts BJ; Gordon MS; Tobias DJ; Gerber RB
J Phys Chem A; 2009 Nov; 113(46):12805-14. PubMed ID: 19817362
[TBL] [Abstract][Full Text] [Related]
33. Distribution, structure, and dynamics of cesium and iodide ions at the H2O-CCl4 and H2O-vapor interfaces.
Wick CD; Dang LX
J Phys Chem B; 2006 Apr; 110(13):6824-31. PubMed ID: 16570991
[TBL] [Abstract][Full Text] [Related]
34. An analysis of molecular packing and chemical association in liquid water using quasichemical theory.
Paliwal A; Asthagiri D; Pratt LR; Ashbaugh HS; Paulaitis ME
J Chem Phys; 2006 Jun; 124(22):224502. PubMed ID: 16784293
[TBL] [Abstract][Full Text] [Related]
35. Conformation, dynamics, solvation and relative stabilities of selected beta-hexopyranoses in water: a molecular dynamics study with the GROMOS 45A4 force field.
Kräutler V; Müller M; Hünenberger PH
Carbohydr Res; 2007 Oct; 342(14):2097-124. PubMed ID: 17573054
[TBL] [Abstract][Full Text] [Related]
36. Sr(II) in water: A labile hydrate with a highly mobile structure.
Hofer TS; Randolf BR; Rode BM
J Phys Chem B; 2006 Oct; 110(41):20409-17. PubMed ID: 17034225
[TBL] [Abstract][Full Text] [Related]
37. Size-dependent charge-separation reaction for hydrated sulfate dianion cluster, SO(2-)(H2O)n, with n=3-7.
Gao B; Liu ZF
J Chem Phys; 2005 Dec; 123(22):224302. PubMed ID: 16375471
[TBL] [Abstract][Full Text] [Related]
38. Combined QM/MM MD study of HCOO(-)-water hydrogen bonds in aqueous solution.
Payaka A; Tongraar A; Rode BM
J Phys Chem A; 2009 Apr; 113(13):3291-8. PubMed ID: 19267446
[TBL] [Abstract][Full Text] [Related]
39. Molecular dynamics study of hydration in ethanol-water mixtures using a polarizable force field.
Noskov SY; Lamoureux G; Roux B
J Phys Chem B; 2005 Apr; 109(14):6705-13. PubMed ID: 16851754
[TBL] [Abstract][Full Text] [Related]
40. Microsolvation effects on the electron capturing ability of thymine: thymine-water clusters.
Kim S; Wheeler SE; Schaefer HF
J Chem Phys; 2006 May; 124(20):204310. PubMed ID: 16774335
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
