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 *

92 related articles for article (PubMed ID: 19791897)

  • 1. Melting slope of MgO from molecular dynamics and density functional theory.
    Tangney P; Scandolo S
    J Chem Phys; 2009 Sep; 131(12):124510. PubMed ID: 19791897
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Argon nucleation: bringing together theory, simulations, and experiment.
    Kalikmanov VI; Wölk J; Kraska T
    J Chem Phys; 2008 Mar; 128(12):124506. PubMed ID: 18376942
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Ab initio melting curve of molybdenum by the phase coexistence method.
    Cazorla C; Gillan MJ; Taioli S; Alfè D
    J Chem Phys; 2007 May; 126(19):194502. PubMed ID: 17523817
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Infrared absorption of MgO at high pressures and temperatures: a molecular dynamic study.
    Adebayo GA; Liang Y; Miranda CR; Scandolo S
    J Chem Phys; 2009 Jul; 131(1):014506. PubMed ID: 19586109
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Molecular dynamics simulations of the melting of 1,3,3-trinitroazetidine.
    Agrawal PM; Rice BM; Zheng L; Velardez GF; Thompson DL
    J Phys Chem B; 2006 Mar; 110(11):5721-6. PubMed ID: 16539517
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. A density functional theory for Lennard-Jones fluids in cylindrical pores and its applications to adsorption of nitrogen on MCM-41 materials.
    Peng B; Yu YX
    Langmuir; 2008 Nov; 24(21):12431-9. PubMed ID: 18839971
    [TBL] [Abstract][Full Text] [Related]  

  • 8. The infrared spectra of the retinal chromophore in bacteriorhodopsin calculated by a DFT/MM approach.
    Babitzki G; Mathias G; Tavan P
    J Phys Chem B; 2009 Jul; 113(30):10496-508. PubMed ID: 19580300
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Structural transition of hexagonal tube to rocksalt for (MgO)3n, 2Dong R; Chen X; Wang X; Lu W
    J Chem Phys; 2008 Jul; 129(4):044705. PubMed ID: 18681668
    [TBL] [Abstract][Full Text] [Related]  

  • 10. On the phase diagram of water with density functional theory potentials: The melting temperature of ice I(h) with the Perdew-Burke-Ernzerhof and Becke-Lee-Yang-Parr functionals.
    Yoo S; Zeng XC; Xantheas SS
    J Chem Phys; 2009 Jun; 130(22):221102. PubMed ID: 19530755
    [TBL] [Abstract][Full Text] [Related]  

  • 11. High-pressure melting curve of hydrogen.
    Davis SM; Belonoshko AB; Johansson B; Skorodumova NV; van Duin AC
    J Chem Phys; 2008 Nov; 129(19):194508. PubMed ID: 19026067
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Investigation of (1R,2S)-(-)-ephedrine by cryogenic terahertz spectroscopy and solid-state density functional theory.
    Hakey PM; Allis DG; Hudson MR; Ouellette W; Korter TM
    Chemphyschem; 2009 Oct; 10(14):2434-44. PubMed ID: 19670202
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Mechanism of heterogeneous reaction of carbonyl sulfide on magnesium oxide.
    Liu Y; He H; Xu W; Yu Y
    J Phys Chem A; 2007 May; 111(20):4333-9. PubMed ID: 17455919
    [TBL] [Abstract][Full Text] [Related]  

  • 14. A computational investigation of the different intermediates during organoalkoxysilane hydrolysis.
    French SA; Sokol AA; Catlow CR; Kornherr A; Nauer GE; Zifferer G
    J Phys Chem B; 2006 Dec; 110(48):24311-7. PubMed ID: 17134181
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Calculation of one-electron redox potentials revisited. Is it possible to calculate accurate potentials with density functional methods?
    Roy LE; Jakubikova E; Guthrie MG; Batista ER
    J Phys Chem A; 2009 Jun; 113(24):6745-50. PubMed ID: 19459608
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Interstitialcy diffusion of oxygen in tetragonal La2CoO(4+δ).
    Kushima A; Parfitt D; Chroneos A; Yildiz B; Kilner JA; Grimes RW
    Phys Chem Chem Phys; 2011 Feb; 13(6):2242-9. PubMed ID: 21132203
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Force field of the TMGL ionic liquid and the solubility of SO2 and CO2 in the TMGL from molecular dynamics simulation.
    Wang Y; Pan H; Li H; Wang C
    J Phys Chem B; 2007 Sep; 111(35):10461-7. PubMed ID: 17691721
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Ab initio molecular dynamics study of the static, dynamic, and electronic properties of liquid mercury at room temperature.
    Calderín L; González LE; González DJ
    J Chem Phys; 2009 May; 130(19):194505. PubMed ID: 19466841
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Melting curve of MgO from first-principles simulations.
    Alfè D
    Phys Rev Lett; 2005 Jun; 94(23):235701. PubMed ID: 16090481
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Vibron hopping and bond anharmonicity in hot dense hydrogen.
    Feldman JL; Johnson JK; Hemley RJ
    J Chem Phys; 2009 Feb; 130(5):054502. PubMed ID: 19206979
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 5.