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871 related items for PubMed ID: 16494422
21. A new method for determining the interfacial molecules and characterizing the surface roughness in computer simulations. Application to the liquid-vapor interface of water. Pártay LB, Hantal G, Jedlovszky P, Vincze A, Horvai G. J Comput Chem; 2008 Apr 30; 29(6):945-56. PubMed ID: 17963228 [Abstract] [Full Text] [Related]
26. Solute rotational dynamics at the water liquid/vapor interface. Benjamin I. J Chem Phys; 2007 Nov 28; 127(20):204712. PubMed ID: 18052451 [Abstract] [Full Text] [Related]
27. Molecular dynamics simulations of the solution-air interface of aqueous sodium nitrate. Thomas JL, Roeselová M, Dang LX, Tobias DJ. J Phys Chem A; 2007 Apr 26; 111(16):3091-8. PubMed ID: 17402716 [Abstract] [Full Text] [Related]
28. Molecular ordering and phase transitions in alkanol monolayers at the water-hexane interface. Tikhonov AM, Pingali SV, Schlossman ML. J Chem Phys; 2004 Jun 22; 120(24):11822-38. PubMed ID: 15268217 [Abstract] [Full Text] [Related]
29. Structure of interfacial water on fluorapatite (100) surface. Pareek A, Torrelles X, Angermund K, Rius J, Magdans U, Gies H. Langmuir; 2008 Mar 18; 24(6):2459-64. PubMed ID: 18278952 [Abstract] [Full Text] [Related]
31. The changing hydrogen-bond network of water from the bulk to the surface of a cluster: a born-oppenheimer molecular dynamics study. Galamba N, Cabral BJ. J Am Chem Soc; 2008 Dec 31; 130(52):17955-60. PubMed ID: 19049430 [Abstract] [Full Text] [Related]
32. Molecular dynamics characterization of n-octyl-beta-D-glucopyranoside micelle structure in aqueous solution. Konidala P, He L, Niemeyer B. J Mol Graph Model; 2006 Sep 31; 25(1):77-86. PubMed ID: 16386443 [Abstract] [Full Text] [Related]
33. Electrostatic polarization effects and hydrophobic hydration in ethanol-water solutions from molecular dynamics simulations. Zhong Y, Patel S. J Phys Chem B; 2009 Jan 22; 113(3):767-78. PubMed ID: 19115819 [Abstract] [Full Text] [Related]
35. Surfactant behavior of "ellipsoidal" dicarbollide anions: a molecular dynamics study. Chevrot G, Schurhammer R, Wipff G. J Phys Chem B; 2006 May 18; 110(19):9488-98. PubMed ID: 16686495 [Abstract] [Full Text] [Related]
36. Molecular dynamics study of the liquid-vapor interface of acetonitrile: equilibrium and dynamical properties. Paul S, Chandra A. J Phys Chem B; 2005 Nov 03; 109(43):20558-64. PubMed ID: 16853661 [Abstract] [Full Text] [Related]
37. Octanol/water partitioning simulation by reversed-phase high performance liquid chromatography for structurally diverse acidic drugs: Effect of n-octanol as mobile phase additive. Giaginis C, Theocharis S, Tsantili-Kakoulidou A. J Chromatogr A; 2007 Sep 28; 1166(1-2):116-25. PubMed ID: 17719594 [Abstract] [Full Text] [Related]
38. Structure and dynamics of water surrounding the poly(methacrylic acid): a molecular dynamics study. Ju SP, Lee WJ, Huang CI, Cheng WZ, Chung YT. J Chem Phys; 2007 Jun 14; 126(22):224901. PubMed ID: 17581077 [Abstract] [Full Text] [Related]
39. Structure of the acetone liquid-vapor interface as seen from Monte Carlo simulations. Pártay L, Jedlovszky P, Horvai G. J Phys Chem B; 2005 Jun 23; 109(24):12014-9. PubMed ID: 16852482 [Abstract] [Full Text] [Related]