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.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

211 related articles for article (PubMed ID: 22554023)

  • 1. Ab initio molecular dynamics simulations of the liquid/vapor interface of sulfuric acid solutions.
    Hammerich AD; Buch V
    J Phys Chem A; 2012 Jun; 116(23):5637-52. PubMed ID: 22554023
    [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. 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]  

  • 4. 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]  

  • 5. 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]  

  • 6. An ab initio molecular dynamics study of the liquid-vapor interface of an aqueous NaCl solution: inhomogeneous density, polarity, hydrogen bonds, and frequency fluctuations of interfacial molecules.
    Choudhuri JR; Chandra A
    J Chem Phys; 2014 Nov; 141(19):194705. PubMed ID: 25416903
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Using force-matching to reveal essential differences between density functionals in ab initio molecular dynamics simulations.
    Izvekov S; Swanson JM
    J Chem Phys; 2011 May; 134(19):194109. PubMed ID: 21599046
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Ab initio molecular-dynamics simulation of aqueous proton solvation and transport revisited.
    Izvekov S; Voth GA
    J Chem Phys; 2005 Jul; 123(4):044505. PubMed ID: 16095367
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Hydrogen bonded structure and dynamics of liquid-vapor interface of water-ammonia mixture: an ab initio molecular dynamics study.
    Chakraborty D; Chandra A
    J Chem Phys; 2011 Sep; 135(11):114510. PubMed ID: 21950874
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Hydration shell structure and dynamics of curium(III) in aqueous solution: first principles and empirical studies.
    Atta-Fynn R; Bylaska EJ; Schenter GK; de Jong WA
    J Phys Chem A; 2011 May; 115(18):4665-77. PubMed ID: 21500828
    [TBL] [Abstract][Full Text] [Related]  

  • 11. The influence of temperature and density functional models in ab initio molecular dynamics simulation of liquid water.
    VandeVondele J; Mohamed F; Krack M; Hutter J; Sprik M; Parrinello M
    J Chem Phys; 2005 Jan; 122(1):14515. PubMed ID: 15638682
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Surfactant solutions and porous substrates: spreading and imbibition.
    Starov VM
    Adv Colloid Interface Sci; 2004 Nov; 111(1-2):3-27. PubMed ID: 15571660
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Molecular packing and chemical association in liquid water simulated using ab initio hybrid Monte Carlo and different exchange-correlation functionals.
    Weber V; Merchant S; Dixit PD; Asthagiri D
    J Chem Phys; 2010 May; 132(20):204509. PubMed ID: 20515102
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. Long-range hydrogen-bond structure in aqueous solutions and the vapor-water interface.
    Irudayam SJ; Henchman RH
    J Chem Phys; 2012 Jul; 137(3):034508. PubMed ID: 22830712
    [TBL] [Abstract][Full Text] [Related]  

  • 16. An ab initio molecular dynamics study of the aqueous liquid-vapor interface.
    Kuo IF; Mundy CJ
    Science; 2004 Jan; 303(5658):658-60. PubMed ID: 14752157
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Nitrogen dioxide at the air-water interface: trapping, absorption, and solvation in the bulk and at the surface.
    Murdachaew G; Varner ME; Phillips LF; Finlayson-Pitts BJ; Gerber RB
    Phys Chem Chem Phys; 2013 Jan; 15(1):204-12. PubMed ID: 23160419
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Structural characterization of interfacial n-octanol and 3-octanol using molecular dynamic simulations.
    Napoleon RL; Moore PB
    J Phys Chem B; 2006 Mar; 110(8):3666-73. PubMed ID: 16494422
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Hydrogen bond and residence dynamics of ion-water and water-water pairs in supercritical aqueous ionic solutions: dependence on ion size and density.
    Mallik BS; Chandra A
    J Chem Phys; 2006 Dec; 125(23):234502. PubMed ID: 17190562
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Proceedings of the Second Workshop on Theory meets Industry (Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12-14 June 2007).
    Hafner J
    J Phys Condens Matter; 2008 Feb; 20(6):060301. PubMed ID: 21693862
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.