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 *

368 related articles for article (PubMed ID: 16035807)

  • 1. Interaction between benzenedithiolate and gold: classical force field for chemical bonding.
    Leng Y; Krstić PS; Wells JC; Cummings PT; Dean DJ
    J Chem Phys; 2005 Jun; 122(24):244721. PubMed ID: 16035807
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Self-assembly of 1,4-benzenedithiolate/tetrahydrofuran on a gold surface: a Monte Carlo simulation study.
    Zhao X; Leng Y; Cummings PT
    Langmuir; 2006 Apr; 22(9):4116-24. PubMed ID: 16618153
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Molecular simulations of stretching gold nanowires in solvents.
    Pu Q; Leng Y; Zhao X; Cummings PT
    Nanotechnology; 2007 Oct; 18(42):424007. PubMed ID: 21730440
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Comparative studies of the spectroscopy of CuCl2: DFT versus standard ab initio approaches.
    Ramírez-Solís A; Poteau R; Vela A; Daudey JP
    J Chem Phys; 2005 Apr; 122(16):164306. PubMed ID: 15945683
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Adsorption of benzene-1,4-dithiol on the Au(111) surface and its possible role in molecular conductance.
    Pontes RB; Novaes FD; Fazzio A; da Silva AJ
    J Am Chem Soc; 2006 Jul; 128(28):8996-7. PubMed ID: 16834348
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Conformations and charge transport characteristics of biphenyldithiol self-assembled-monolayer molecular electronic devices: a multiscale computational study.
    Kim YH; Jang SS; Goddard WA
    J Chem Phys; 2005 Jun; 122(24):244703. PubMed ID: 16035789
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Detection and determination of the {Fe(NO)(2)} core vibrational features in dinitrosyl-iron complexes from experiment, normal coordinate analysis, and density functional theory: an avenue for probing the nitric oxide oxidation state.
    Dai RJ; Ke SC
    J Phys Chem B; 2007 Mar; 111(9):2335-46. PubMed ID: 17295535
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Theoretical study of oxygen adsorption on pure Au(n+1)+ and doped MAu(n)+ cationic gold clusters for M = Ti, Fe and n = 3-7.
    Torres MB; Fernández EM; Balbás LC
    J Phys Chem A; 2008 Jul; 112(29):6678-89. PubMed ID: 18578480
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Density functional theory studies of Au(n)+ (CH(3)OH)m (n = 3, 5, m = 1-5) complexes.
    Li YC; Yang CL; Sun MY; Li XX; An YP; Wang MS; Ma XG; Wang DH
    J Phys Chem A; 2009 Feb; 113(7):1353-9. PubMed ID: 19199674
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Electronic and structural properties of oligophenylene ethynylenes on Au(111) surfaces.
    Miao L; Seminario JM
    J Chem Phys; 2007 May; 126(18):184706. PubMed ID: 17508823
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Accurate and efficient calculation of van der Waals interactions within density functional theory by local atomic potential approach.
    Sun YY; Kim YH; Lee K; Zhang SB
    J Chem Phys; 2008 Oct; 129(15):154102. PubMed ID: 19045171
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Self-assembled dynamics of silver nanoparticles and self-assembled dynamics of 1,4-benzenedithiol adsorbed on silver nanoparticles: Surface-enhanced Raman scattering study.
    Sun M; Xia L; Chen M
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Oct; 74(2):509-14. PubMed ID: 19632144
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Density functional theory-based prediction of the formation constants of complexes of ammonia in aqueous solution: indications of the role of relativistic effects in the solution chemistry of gold(I).
    Hancock RD; Bartolotti LJ
    Inorg Chem; 2005 Oct; 44(20):7175-83. PubMed ID: 16180881
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Conformation and dynamics of arylthiol self-assembled monolayers on Au(111).
    Dirama TE; Johnson JA
    Langmuir; 2007 Nov; 23(24):12208-16. PubMed ID: 17958384
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Odd-even variations in the wettability of n-alkanethiolate monolayers on gold by water and hexadecane: a molecular dynamics simulation study.
    Srivastava P; Chapman WG; Laibinis PE
    Langmuir; 2005 Dec; 21(26):12171-8. PubMed ID: 16342989
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Ab-initio simulations of materials using VASP: Density-functional theory and beyond.
    Hafner J
    J Comput Chem; 2008 Oct; 29(13):2044-78. PubMed ID: 18623101
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Peptide-TiO2 surface interaction in solution by ab initio and molecular dynamics simulations.
    Carravetta V; Monti S
    J Phys Chem B; 2006 Mar; 110(12):6160-9. PubMed ID: 16553430
    [TBL] [Abstract][Full Text] [Related]  

  • 18. X-ray diffraction and computation yield the structure of alkanethiols on gold(111).
    Cossaro A; Mazzarello R; Rousseau R; Casalis L; Verdini A; Kohlmeyer A; Floreano L; Scandolo S; Morgante A; Klein ML; Scoles G
    Science; 2008 Aug; 321(5891):943-6. PubMed ID: 18703737
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 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]  

  • 20. 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]  

    [Next]    [New Search]
    of 19.