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 *

277 related articles for article (PubMed ID: 21974557)

  • 21. Effects of dispersion interactions on the structure, polarity, and dynamics of liquid-vapor interface of an aqueous NaCl solution: Results of first principles simulations at room temperature.
    Roy Choudhuri J; Chandra A
    J Chem Phys; 2018 Jan; 148(2):024702. PubMed ID: 29331112
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Ion spatial distributions at the liquid-vapor interface of aqueous potassium fluoride solutions.
    Brown MA; D'Auria R; Kuo IF; Krisch MJ; Starr DE; Bluhm H; Tobias DJ; Hemminger JC
    Phys Chem Chem Phys; 2008 Aug; 10(32):4778-84. PubMed ID: 18688520
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Isobaric-isothermal molecular dynamics simulations utilizing density functional theory: an assessment of the structure and density of water at near-ambient conditions.
    Schmidt J; VandeVondele J; Kuo IF; Sebastiani D; Siepmann JI; Hutter J; Mundy CJ
    J Phys Chem B; 2009 Sep; 113(35):11959-64. PubMed ID: 19663399
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Structure, dynamics, and the free energy of solute adsorption at liquid-vapor interfaces of simple dipolar systems: molecular dynamics results for pure and mixed Stockmayer fluids.
    Paul S; Chandra A
    J Phys Chem B; 2007 Nov; 111(43):12500-7. PubMed ID: 17927243
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Lattice instability and martensitic transformation in LaAg predicted from first-principles theory.
    Vaitheeswaran G; Kanchana V; Zhang X; Ma Y; Svane A; Kaul SN
    J Phys Condens Matter; 2012 Feb; 24(7):075402. PubMed ID: 22293081
    [TBL] [Abstract][Full Text] [Related]  

  • 26. 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]  

  • 27. Surface tensions in NaCl-water-air systems from MD simulations.
    Bahadur R; Russell LM; Alavi S
    J Phys Chem B; 2007 Oct; 111(41):11989-96. PubMed ID: 17894485
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Structure and dynamics of the aqueous liquid-vapor interface: a comprehensive particle-based simulation study.
    Kuo IF; Mundy CJ; Eggimann BL; McGrath MJ; Siepmann JI; Chen B; Vieceli J; Tobias DJ
    J Phys Chem B; 2006 Mar; 110(8):3738-46. PubMed ID: 16494432
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Density, structure, and dynamics of water: the effect of van der Waals interactions.
    Wang J; Román-Pérez G; Soler JM; Artacho E; Fernández-Serra MV
    J Chem Phys; 2011 Jan; 134(2):024516. PubMed ID: 21241129
    [TBL] [Abstract][Full Text] [Related]  

  • 30. 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]  

  • 31. Interfacial properties of water/CO2: a comprehensive description through a Gradient Theory-SAFT-VR Mie approach.
    Lafitte T; Mendiboure B; Piñeiro MM; Bessières D; Miqueu C
    J Phys Chem B; 2010 Sep; 114(34):11110-6. PubMed ID: 20698517
    [TBL] [Abstract][Full Text] [Related]  

  • 32. A first principles based polarizable O(N) interatomic force field for bulk silica.
    Kermode JR; Cereda S; Tangney P; De Vita A
    J Chem Phys; 2010 Sep; 133(9):094102. PubMed ID: 20831310
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Molecular dynamics simulation of liquid water: hybrid density functionals.
    Todorova T; Seitsonen AP; Hutter J; Kuo IF; Mundy CJ
    J Phys Chem B; 2006 Mar; 110(8):3685-91. PubMed ID: 16494424
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Structure, thermodynamics, and liquid-vapor equilibrium of ethanol from molecular-dynamics simulations using nonadditive interactions.
    Patel S; Brooks CL
    J Chem Phys; 2005 Oct; 123(16):164502. PubMed ID: 16268707
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Effect of dispersion correction on the Au(1 1 1)-H2O interface: a first-principles study.
    Nadler R; Sanz JF
    J Chem Phys; 2012 Sep; 137(11):114709. PubMed ID: 22998283
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Classical density functional theory for the prediction of the surface tension and interfacial properties of fluids mixtures of chain molecules based on the statistical associating fluid theory for potentials of variable range.
    Llovell F; Galindo A; Blas FJ; Jackson G
    J Chem Phys; 2010 Jul; 133(2):024704. PubMed ID: 20632767
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Density functional theory based molecular-dynamics study of aqueous fluoride solvation.
    Heuft JM; Meijer EJ
    J Chem Phys; 2005 Mar; 122(9):094501. PubMed ID: 15836144
    [TBL] [Abstract][Full Text] [Related]  

  • 38. An accurate density functional theory for the vapor-liquid interface of associating chain molecules based on the statistical associating fluid theory for potentials of variable range.
    Gloor GJ; Jackson G; Blas FJ; Del Río EM; de Miguel E
    J Chem Phys; 2004 Dec; 121(24):12740-59. PubMed ID: 15606300
    [TBL] [Abstract][Full Text] [Related]  

  • 39. 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]  

  • 40. Monte Carlo versus molecular dynamics simulations in heterogeneous systems: an application to the n-pentane liquid-vapor interface.
    Goujon F; Malfreyt P; Simon JM; Boutin A; Rousseau B; Fuchs AH
    J Chem Phys; 2004 Dec; 121(24):12559-71. PubMed ID: 15606277
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 14.