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 *

125 related articles for article (PubMed ID: 21403347)

  • 1. Structure and elastic properties of Mg(OH)2 from density functional theory.
    Jochym PT; Oleś AM; Parlinski K; Łażewski J; Piekarz P; Sternik M
    J Phys Condens Matter; 2010 Nov; 22(44):445403. PubMed ID: 21403347
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Ab initio study of the lattice dynamics of CsNiF3.
    Legut D; Wdowik UD
    J Phys Condens Matter; 2010 Nov; 22(43):435402. PubMed ID: 21403326
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Reaction path potential for complex systems derived from combined ab initio quantum mechanical and molecular mechanical calculations.
    Lu Z; Yang W
    J Chem Phys; 2004 Jul; 121(1):89-100. PubMed ID: 15260525
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. First-principles elastic and thermal properties of TiO2: a phonon approach.
    Shojaee E; Mohammadizadeh MR
    J Phys Condens Matter; 2010 Jan; 22(1):015401. PubMed ID: 21386223
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Direct ab initio dynamics calculation of the reaction rates of CH3OCl with OH.
    He HQ; Liu JY; Li ZS; Sun CC
    J Phys Chem A; 2005 Apr; 109(14):3235-40. PubMed ID: 16833653
    [TBL] [Abstract][Full Text] [Related]  

  • 7. The structure and binding energies of the van der Waals complexes of Ar and N2 with phenol and its cation, studied by high level ab initio and density functional theory calculations.
    Vincent MA; Hillier IH; Morgado CA; Burton NA; Shan X
    J Chem Phys; 2008 Jan; 128(4):044313. PubMed ID: 18247955
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Ab initio and molecular dynamics studies of crystalline TNAD (trans-1,4,5,8-tetranitro-1,4,5,8-tetraazadecalin).
    Qiu L; Xiao HM; Zhu WH; Xiao JJ; Zhu W
    J Phys Chem B; 2006 Jun; 110(22):10651-61. PubMed ID: 16771311
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Ab initio direct dynamics studies on the reactions of chlorine atom with CH3-nFnCH2OH (n = 1-3).
    Wang Y; Liu JY; Li ZS
    J Comput Chem; 2007 Dec; 28(16):2517-30. PubMed ID: 17786912
    [TBL] [Abstract][Full Text] [Related]  

  • 11. A dipole polarizable potential for reduced and doped CeO(2) obtained from first principles.
    Burbano M; Marrocchelli D; Yildiz B; Tuller HL; Norberg ST; Hull S; Madden PA; Watson GW
    J Phys Condens Matter; 2011 Jun; 23(25):255402. PubMed ID: 21654047
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Molecular structure and conformational composition of 1,3-dihydroxyacetone studied by combined analysis of gas-phase electron diffraction data, rotational constants, and results of theoretical calculations. Ideal gas thermodynamic properties of 1,3-dihydroxyacetone.
    Dorofeeva OV; Vogt N; Vogt J; Popik MV; Rykov AN; Vilkov LV
    J Phys Chem A; 2007 Jul; 111(28):6434-42. PubMed ID: 17595068
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Ab initio studies of properties of small potassium clusters.
    Banerjee A; Ghanty TK; Chakrabarti A
    J Phys Chem A; 2008 Dec; 112(48):12303-11. PubMed ID: 18998655
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Cis-cis and trans-perp HOONO: action spectroscopy and isomerization kinetics.
    Fry JL; Nizkorodov SA; Okumura M; Roehl CM; Francisco JS; Wennberg PO
    J Chem Phys; 2004 Jul; 121(3):1432-48. PubMed ID: 15260688
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Structural studies on ethyl isovalerate by microwave spectroscopy and quantum chemical calculations.
    Mouhib H; Jelisavac D; Sutikdja LW; Isaak E; Stahl W
    J Phys Chem A; 2011 Jan; 115(2):118-22. PubMed ID: 21162564
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Ab initio study of thermodynamic, structural, and elastic properties of Mg-substituted crystalline calcite.
    Elstnerová P; Friák M; Fabritius HO; Lymperakis L; Hickel T; Petrov M; Nikolov S; Raabe D; Ziegler A; Hild S; Neugebauer J
    Acta Biomater; 2010 Dec; 6(12):4506-12. PubMed ID: 20650336
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Ab initio calculation of lattice dynamics in FePd intermetallics.
    Ghosh S
    J Phys Condens Matter; 2008 Jul; 20(27):275208. PubMed ID: 21694370
    [TBL] [Abstract][Full Text] [Related]  

  • 18. The phase transition, and elastic and thermodynamic properties of CaS derived from first-principles calculations.
    Guo YD; Yang ZJ; Gao QH; Liu ZJ; Dai W
    J Phys Condens Matter; 2008 Mar; 20(11):115203. PubMed ID: 21694220
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Order-disorder phase transition and dissociation of hydrogen sulfide under high pressure: ab initio molecular dynamics study.
    Wang L; Tian F; Feng W; Chen C; He Z; Ma Y; Cui T; Liu B; Zou G
    J Chem Phys; 2010 Apr; 132(16):164506. PubMed ID: 20441287
    [TBL] [Abstract][Full Text] [Related]  

  • 20. High level ab initio study of the structure and vibrational spectra of HO(2)NO(2).
    Matthews J; Sinha A; Francisco JS
    J Chem Phys; 2004 Sep; 121(12):5720-7. PubMed ID: 15366995
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.