BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

174 related articles for article (PubMed ID: 15974696)

  • 1. A theoretical investigation of gadolinium (III) solvation in molten salts.
    Hazebroucq S; Picard GS; Adamo C
    J Chem Phys; 2005 Jun; 122(22):224512. PubMed ID: 15974696
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Microsolvation of the sodium and iodide ions and their ion pair in acetonitrile clusters: a theoretical study.
    Nguyen TN; Hughes SR; Peslherbe GH
    J Phys Chem B; 2008 Jan; 112(2):621-35. PubMed ID: 18183958
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Density-functional-based molecular-dynamics simulations of molten salts.
    Hazebroucq S; Picard GS; Adamo C; Heine T; Gemming S; Seifert G
    J Chem Phys; 2005 Oct; 123(13):134510. PubMed ID: 16223317
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Solvent effects on global reactivity properties for neutral and charged systems using the sequential Monte Carlo quantum mechanics model.
    Jaramillo P; Pérez P; Fuentealba P; Canuto S; Coutinho K
    J Phys Chem B; 2009 Apr; 113(13):4314-22. PubMed ID: 19320524
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Solvation dynamics by computer simulation: coumarin C153 in 1,4-dioxane.
    Cinacchi G; Ingrosso F; Tani A
    J Phys Chem B; 2006 Jul; 110(27):13633-41. PubMed ID: 16821891
    [TBL] [Abstract][Full Text] [Related]  

  • 6. A coupled Car-Parrinello molecular dynamics and EXAFS data analysis investigation of aqueous Co(2+).
    Spezia R; Duvail M; Vitorge P; Cartailler T; Tortajada J; Chillemi G; D'Angelo P; Gaigeot MP
    J Phys Chem A; 2006 Dec; 110(48):13081-8. PubMed ID: 17134169
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Geometrical and electronic properties of neutral and charged cesium clusters Cs(n) (n=2-10): a theoretical study.
    Ali Basu M; Maity DK; Das D; Mukherjee T
    J Chem Phys; 2006 Jan; 124(2):024325. PubMed ID: 16422601
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions.
    Marenich AV; Cramer CJ; Truhlar DG
    J Phys Chem B; 2009 May; 113(18):6378-96. PubMed ID: 19366259
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Atomic and electronic structures of neutral and charged Pbn clusters (n=2-15): theoretical investigation based on density functional theory.
    Rajesh C; Majumder C
    J Chem Phys; 2007 Jun; 126(24):244704. PubMed ID: 17614574
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Vibrational shifts of OCS in mixed clusters of parahydrogen and helium.
    Paesani F; Whaley KB
    J Chem Phys; 2006 Jun; 124(23):234310. PubMed ID: 16821921
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Theoretical determination of the standard reduction potentials of pheophytin-a in N,N-dimethyl formamide and membrane.
    Mehta N; Datta SN
    J Phys Chem B; 2007 Jun; 111(25):7210-7. PubMed ID: 17536851
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Solvation of coumarin 153 in supercritical fluoroform.
    Ingrosso F; Ladanyi BM; Mennucci B; Scalmani G
    J Phys Chem B; 2006 Mar; 110(10):4953-62. PubMed ID: 16526736
    [TBL] [Abstract][Full Text] [Related]  

  • 13. HF in clusters of molecular hydrogen. I. Size evolution of quantum solvation by parahydrogen molecules.
    Jiang H; Bacić Z
    J Chem Phys; 2005 Jun; 122(24):244306. PubMed ID: 16035756
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Microscopic solvation of a lithium atom in water-ammonia mixed clusters: solvent coordination and electron localization in presence of a counterion.
    Pratihar S; Chandra A
    J Chem Phys; 2008 Jul; 129(2):024511. PubMed ID: 18624542
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Solvation of Co(III)-cysteinato complexes in water: a DFT-based molecular dynamics study.
    Spezia R; Bresson C; Den Auwer C; Gaigeot MP
    J Phys Chem B; 2008 May; 112(20):6490-9. PubMed ID: 18442288
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Structure, stability, and infrared spectroscopy of (H2O)nNH4(+) clusters: a theoretical study at zero and finite temperature.
    Douady J; Calvo F; Spiegelman F
    J Chem Phys; 2008 Oct; 129(15):154305. PubMed ID: 19045191
    [TBL] [Abstract][Full Text] [Related]  

  • 17. The structure of the hydrated electron. Part 2. A mixed quantum/classical molecular dynamics embedded cluster density functional theory: single-excitation configuration interaction study.
    Shkrob IA; Glover WJ; Larsen RE; Schwartz BJ
    J Phys Chem A; 2007 Jun; 111(24):5232-43. PubMed ID: 17530823
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Importance of polarization in quantum mechanics/molecular mechanics descriptions of electronic excited states: NaI(H2O)n photodissociation dynamics as a case study.
    Koch DM; Peslherbe GH
    J Phys Chem B; 2008 Jan; 112(2):636-49. PubMed ID: 18183959
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Infrared photodissociation spectroscopy of Na(NH3)n clusters: probing the solvent coordination.
    Salter TE; Mikhailov V; Ellis AM
    J Phys Chem A; 2007 Aug; 111(34):8344-51. PubMed ID: 17661456
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Polarizable force field parameterization and theoretical simulations of ThCl
    Liu JB; Chen X; Lu JB; Cui HQ; Li J
    J Comput Chem; 2018 Nov; 39(29):2432-2438. PubMed ID: 30351490
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.