BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

226 related articles for article (PubMed ID: 16852951)

  • 21. Progress in the understanding of drug-receptor interactions, part 2: experimental and theoretical electrostatic moments and interaction energies of an angiotensin II receptor antagonist (C30H30N6(O)3S).
    Soave R; Barzaghi M; Destro R
    Chemistry; 2007; 13(24):6942-56. PubMed ID: 17539033
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Structure and energetics of ammonia clusters (NH3)n (n = 3-20) investigated using a rigid-polarizable model derived from ab initio calculations.
    Janeiro-Barral PE; Mella M; Curotto E
    J Phys Chem A; 2008 Apr; 112(13):2888-98. PubMed ID: 18303873
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Adsorption of benzene on coinage metals: a theoretical analysis using wavefunction-based methods.
    Caputo R; Prascher BP; Staemmler V; Bagus PS; Wöll C
    J Phys Chem A; 2007 Dec; 111(49):12778-84. PubMed ID: 17999480
    [TBL] [Abstract][Full Text] [Related]  

  • 24. The interaction of C6H6 and C6H12 with noble metal surfaces: electronic level alignment and the origin of the interface dipole.
    Bagus PS; Hermann K; Wöll C
    J Chem Phys; 2005 Nov; 123(18):184109. PubMed ID: 16292901
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Theoretical study on photophysical properties of ambipolar spirobifluorene derivatives as efficient blue-light-emitting materials.
    Ran XQ; Feng JK; Ren AM; Li WC; Zou LY; Sun CC
    J Phys Chem A; 2009 Jul; 113(27):7933-9. PubMed ID: 19507831
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Reassessment of large dipole moment enhancements in crystals: a detailed experimental and theoretical charge density analysis of 2-methyl-4-nitroaniline.
    Whitten AE; Turner P; Klooster WT; Piltz RO; Spackman MA
    J Phys Chem A; 2006 Jul; 110(28):8763-76. PubMed ID: 16836439
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Effect of displacement and distortion of potential energy surfaces and overlapping resonances of electronic transitions on surface-enhanced Raman scattering: models and ab initio theoretical calculation.
    Lee MT; Wu DY; Tian ZQ; Lin SH
    J Chem Phys; 2005 Mar; 122(9):094719. PubMed ID: 15836174
    [TBL] [Abstract][Full Text] [Related]  

  • 28. DNA base trimers: empirical and quantum chemical ab initio calculations versus experiment in vacuo.
    Kabelác M; Sherer EC; Cramer CJ; Hobza P
    Chemistry; 2007; 13(7):2067-77. PubMed ID: 17146828
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Electric dipole (hyper)polarizabilities of selected X2Y2 and X3Y3 (X = Al, Ga, In and Y = P, As): III-V semiconductor clusters. An ab initio comparative study.
    Karamanis P; Pouchan C; Leszczynski J
    J Phys Chem A; 2008 Dec; 112(51):13662-71. PubMed ID: 19093824
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Time-domain ab initio study of charge relaxation and recombination in dye-sensitized TiO2.
    Duncan WR; Craig CF; Prezhdo OV
    J Am Chem Soc; 2007 Jul; 129(27):8528-43. PubMed ID: 17579405
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Density functional theory study on the structural and electronic properties of low index rutile surfaces for TiO2/SnO2/TiO2 and SnO2/TiO2/SnO2 composite systems.
    Beltrán A; Andrés J; Sambrano JR; Longo E
    J Phys Chem A; 2008 Sep; 112(38):8943-52. PubMed ID: 18680263
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Ab initio investigations of the electric field dependence of the geometric and electronic structures of molecular wires.
    Li Y; Zhao J; Yin X; Yin G
    J Phys Chem A; 2006 Sep; 110(38):11130-5. PubMed ID: 16986847
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Molecular control over Au/GaAs diodes.
    Vilan A; Shanzer A; Cahen D
    Nature; 2000 Mar; 404(6774):166-8. PubMed ID: 10724164
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Theoretical insights into the hydrated (10.4) calcite surface: structure, energetics, and bonding relationships.
    Villegas-Jiménez A; Mucci A; Whitehead MA
    Langmuir; 2009 Jun; 25(12):6813-24. PubMed ID: 19405483
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Electrostatic properties of adsorbed polar molecules: opposite behavior of a single molecule and a molecular monolayer.
    Deutsch D; Natan A; Shapira Y; Kronik L
    J Am Chem Soc; 2007 Mar; 129(10):2989-97. PubMed ID: 17305341
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Density functional theory study of the binding of glycine, proline, and hydroxyproline to the hydroxyapatite (0001) and (0110) surfaces.
    Almora-Barrios N; Austen KF; de Leeuw NH
    Langmuir; 2009 May; 25(9):5018-25. PubMed ID: 19397352
    [TBL] [Abstract][Full Text] [Related]  

  • 37. An ab initio study of S(N)2 reactivity at C6 in hexopyranose derivatives. I. Influence of dipole-dipole interactions in the transition structure.
    Dawes R; Gough KM; Hultin PG
    J Phys Chem A; 2005 Jan; 109(1):213-7. PubMed ID: 16839108
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Quantum chemical analysis of electronic structure and n- and p-type charge transport in perfluoroarene-modified oligothiophene semiconductors.
    Koh SE; Delley B; Medvedeva JE; Facchetti A; Freeman AJ; Marks TJ; Ratner MA
    J Phys Chem B; 2006 Dec; 110(48):24361-70. PubMed ID: 17134188
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Full-dimensional, ab initio potential energy and dipole moment surfaces for water.
    Wang Y; Shepler BC; Braams BJ; Bowman JM
    J Chem Phys; 2009 Aug; 131(5):054511. PubMed ID: 19673578
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Role of molecular orbitals of the benzene in electronic nanodevices.
    Choi YC; Kim WY; Park KS; Tarakeshwar P; Kim KS; Kim TS; Lee JY
    J Chem Phys; 2005 Mar; 122(9):094706. PubMed ID: 15836161
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 12.