BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

619 related articles for article (PubMed ID: 20078167)

  • 1. Polarization and charge transfer in the hydration of chloride ions.
    Zhao Z; Rogers DM; Beck TL
    J Chem Phys; 2010 Jan; 132(1):014502. PubMed ID: 20078167
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. Quasichemical and structural analysis of polarizable anion hydration.
    Rogers DM; Beck TL
    J Chem Phys; 2010 Jan; 132(1):014505. PubMed ID: 20078170
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Polarization of water in the first hydration shell of K+ and Ca2+ ions.
    Bucher D; Kuyucak S
    J Phys Chem B; 2008 Sep; 112(35):10786-90. PubMed ID: 18698721
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. Computational investigation of the first solvation shell structure of interfacial and bulk aqueous chloride and iodide ions.
    Wick CD; Xantheas SS
    J Phys Chem B; 2009 Apr; 113(13):4141-6. PubMed ID: 19014185
    [TBL] [Abstract][Full Text] [Related]  

  • 7. The coordination of uranyl in water: a combined quantum chemical and molecular simulation study.
    Hagberg D; Karlström G; Roos BO; Gagliardi L
    J Am Chem Soc; 2005 Oct; 127(41):14250-6. PubMed ID: 16218619
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Density functional theory based molecular-dynamics study of aqueous iodide solvation.
    Heuft JM; Meijer EJ
    J Chem Phys; 2005 Sep; 123(9):94506. PubMed ID: 16164352
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Ultrafast dynamics of hydrogen bond exchange in aqueous ionic solutions.
    Park S; Odelius M; Gaffney KJ
    J Phys Chem B; 2009 Jun; 113(22):7825-35. PubMed ID: 19435307
    [TBL] [Abstract][Full Text] [Related]  

  • 10. The effects of charge transfer on the aqueous solvation of ions.
    Soniat M; Rick SW
    J Chem Phys; 2012 Jul; 137(4):044511. PubMed ID: 22852635
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Electrostatic polarization effects and hydrophobic hydration in ethanol-water solutions from molecular dynamics simulations.
    Zhong Y; Patel S
    J Phys Chem B; 2009 Jan; 113(3):767-78. PubMed ID: 19115819
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Ion permeation dynamics in carbon nanotubes.
    Liu H; Murad S; Jameson CJ
    J Chem Phys; 2006 Aug; 125(8):084713. PubMed ID: 16965045
    [TBL] [Abstract][Full Text] [Related]  

  • 13. A quantum mechanical charge field molecular dynamics study of Fe(2+) and Fe(3+) ions in aqueous solutions.
    Moin ST; Hofer TS; Pribil AB; Randolf BR; Rode BM
    Inorg Chem; 2010 Jun; 49(11):5101-6. PubMed ID: 20441160
    [TBL] [Abstract][Full Text] [Related]  

  • 14. An ab initio quantum mechanical charge field molecular dynamics simulation of a dilute aqueous HCl solution.
    Kritayakornupong C; Vchirawongkwin V; Rode BM
    J Comput Chem; 2010 Jun; 31(8):1785-92. PubMed ID: 20020473
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Linking electronic and molecular structure: insight into aqueous chloride solvation.
    Ge L; Bernasconi L; Hunt P
    Phys Chem Chem Phys; 2013 Aug; 15(31):13169-83. PubMed ID: 23824018
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Equatorial and apical solvent shells of the UO2 2+ ion.
    Nichols P; Bylaska EJ; Schenter GK; de Jong W
    J Chem Phys; 2008 Mar; 128(12):124507. PubMed ID: 18376943
    [TBL] [Abstract][Full Text] [Related]  

  • 17. The hydrogen bond network structure within the hydration shell around simple osmolytes: urea, tetramethylurea, and trimethylamine-N-oxide, investigated using both a fixed charge and a polarizable water model.
    Kuffel A; Zielkiewicz J
    J Chem Phys; 2010 Jul; 133(3):035102. PubMed ID: 20649360
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Development of a ReaxFF reactive force field for aqueous chloride and copper chloride.
    Rahaman O; van Duin AC; Bryantsev VS; Mueller JE; Solares SD; Goddard WA; Doren DJ
    J Phys Chem A; 2010 Mar; 114(10):3556-68. PubMed ID: 20180586
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Ion solvation and water structure in potassium halide aqueous solutions.
    Soper AK; Weckström K
    Biophys Chem; 2006 Dec; 124(3):180-91. PubMed ID: 16698172
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Molecular simulation study of temperature effect on ionic hydration in carbon nanotubes.
    Shao Q; Huang L; Zhou J; Lu L; Zhang L; Lu X; Jiang S; Gubbins KE; Shen W
    Phys Chem Chem Phys; 2008 Apr; 10(14):1896-906. PubMed ID: 18368182
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 31.