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 *

123 related articles for article (PubMed ID: 17523822)

  • 41. A QM/MM study of proton transport pathways in a [NiFe] hydrogenase.
    Fdez Galván I; Volbeda A; Fontecilla-Camps JC; Field MJ
    Proteins; 2008 Oct; 73(1):195-203. PubMed ID: 18412257
    [TBL] [Abstract][Full Text] [Related]  

  • 42. Ab initio study of electronic structure and optical properties of heavy-metal azides: TlN3, AgN3, and CuN3.
    Zhu W; Xiao H
    J Comput Chem; 2008 Jan; 29(2):176-84. PubMed ID: 17559072
    [TBL] [Abstract][Full Text] [Related]  

  • 43. The H2O(2+) potential energy surfaces dissociating into H(+)/OH(+): theoretical analysis of the isotopic effect.
    Gervais B; Giglio E; Adoui L; Cassimi A; Duflot D; Galassi ME
    J Chem Phys; 2009 Jul; 131(2):024302. PubMed ID: 19603986
    [TBL] [Abstract][Full Text] [Related]  

  • 44. Ab initio molecular dynamics of hydrogen dissociation on metal surfaces using neural networks and novelty sampling.
    Ludwig J; Vlachos DG
    J Chem Phys; 2007 Oct; 127(15):154716. PubMed ID: 17949200
    [TBL] [Abstract][Full Text] [Related]  

  • 45. Direct ab initio dynamics calculations for rates and the kinetic isotope effects of multiproton transfer in ClONO2 + HCl --> HNO3 + Cl2 reactions with water clusters: breakdown of the rule of the geometric mean.
    Nam K; Kim Y
    J Chem Phys; 2009 Apr; 130(14):144310. PubMed ID: 19368448
    [TBL] [Abstract][Full Text] [Related]  

  • 46. Insights on co-catalyst-promoted enamine formation between dimethylamine and propanal through ab initio and density functional theory study.
    Patil MP; Sunoj RB
    J Org Chem; 2007 Oct; 72(22):8202-15. PubMed ID: 17900139
    [TBL] [Abstract][Full Text] [Related]  

  • 47. Molecular Dynamics Simulation of Oxygen Ion Conduction in Orthorhombic Perovskite Ba-Doped LaInO3 Using Cubic and Orthorhombic Model.
    Hwang KJ; Yoon M; Hwang HJ; Choi SM; Jeong SM
    J Nanosci Nanotechnol; 2015 Nov; 15(11):8947-50. PubMed ID: 26726624
    [TBL] [Abstract][Full Text] [Related]  

  • 48. A theory-experiment conundrum for proton transfer.
    Peters KS
    Acc Chem Res; 2009 Jan; 42(1):89-96. PubMed ID: 18781778
    [TBL] [Abstract][Full Text] [Related]  

  • 49. Ab initio spectroscopy and photoinduced cooling of the trans-stilbene molecule.
    Tatchen J; Pollak E
    J Chem Phys; 2008 Apr; 128(16):164303. PubMed ID: 18447435
    [TBL] [Abstract][Full Text] [Related]  

  • 50. Insights into photodissociation dynamics of acetaldehyde from ab initio calculations and molecular dynamics simulations.
    Chen S; Fang WH
    J Chem Phys; 2009 Aug; 131(5):054306. PubMed ID: 19673561
    [TBL] [Abstract][Full Text] [Related]  

  • 51. First principles study of the photo-oxidation of water on tungsten trioxide (WO3).
    Valdés A; Kroes GJ
    J Chem Phys; 2009 Mar; 130(11):114701. PubMed ID: 19317549
    [TBL] [Abstract][Full Text] [Related]  

  • 52. Experimental and theoretical determination of the low-loss electron energy loss spectroscopy of LiMn2O4.
    Espinosa-Magaña F; Alvarez-Contreras L; Ochoa-Lara MT; Loya-Mancilla SM; Aguilar-Elguezabal A
    Micron; 2009 Jun; 40(4):434-8. PubMed ID: 19303783
    [TBL] [Abstract][Full Text] [Related]  

  • 53. Generalized approximation to the reaction path: the formic acid dimer case.
    Matanović I; Doslić N; Johnson BR
    J Chem Phys; 2008 Feb; 128(8):084103. PubMed ID: 18315029
    [TBL] [Abstract][Full Text] [Related]  

  • 54. Ab initio and density functional theory evidence on the rate-limiting step in the Morita-Baylis-Hillman reaction.
    Roy D; Sunoj RB
    Org Lett; 2007 Nov; 9(23):4873-6. PubMed ID: 17924642
    [TBL] [Abstract][Full Text] [Related]  

  • 55. Theoretical study of the reaction between HF molecules and hydroxyl layers of Mg(OH)2.
    Vaiss VS; Berg RA; Ferreira AR; Borges I; Leitão AA
    J Phys Chem A; 2009 Jun; 113(23):6494-9. PubMed ID: 19445473
    [TBL] [Abstract][Full Text] [Related]  

  • 56. The electronic structure of the four nucleotide bases in DNA, of their stacks, and of their homopolynucleotides in the absence and presence of water.
    Ladik J; Bende A; Bogár F
    J Chem Phys; 2008 Mar; 128(10):105101. PubMed ID: 18345925
    [TBL] [Abstract][Full Text] [Related]  

  • 57. Tunneling molecular dynamics in the light of the corpuscular-wave dualism theory.
    Latanowicz L; Filipek P
    J Phys Chem A; 2007 Aug; 111(32):7695-702. PubMed ID: 17629253
    [TBL] [Abstract][Full Text] [Related]  

  • 58. 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]  

  • 59. Theoretical study of the oxygen exchange in uranyl hydroxide. An old riddle solved?
    Shamov GA; Schreckenbach G
    J Am Chem Soc; 2008 Oct; 130(41):13735-44. PubMed ID: 18808120
    [TBL] [Abstract][Full Text] [Related]  

  • 60. Density functional theory study of intramolecular hydrogen bonding and proton transfer in o-hydroxyaryl ketimines.
    Filarowski A; Koll A; Hansen PE; Kluba M
    J Phys Chem A; 2008 Apr; 112(15):3478-85. PubMed ID: 18358013
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 7.