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  • David A King FRS
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  • David A King FRS Publications (2004)


    Metal-carbon bond energies for adsorbed hydrocarbons from calorimetric data
    Gross H, Campbell CT, King DA
    SURF SCI, 2004, 02-Mar, 179-190. DOI: 10.1016/j.susc.2004.08.015


    Direct sticking and differential adsorption heats as probes of structural transitions: O2 on the stepped Ni[211] surface.
    Karmazyn AD, Fiorin V, King DA
    J Am Chem Soc, 2004, 43, 14273-14277. DOI: 10.1021/ja047165i


    Direct sticking and differential adsorption heats as probes of structural transitions: O-2 on the stepped Ni{211} surface
    Karmazyn AD, Fiorin V, King DA
    J AM CHEM SOC, 2004, 43, 14273-14277. DOI: 10.1021/ja0471651


    Role of nanostructured dual-oxide supports in enhanced catalytic activity: theory of CO oxidation over Au/IrO2/TiO2.
    Liu ZP, Jenkins SJ, King DA
    Phys Rev Lett, 2004, 15, 156102-.


    Femtosecond pump/probe spectroscopy of CO on Ru{1010} from experimental and theoretical perspectives
    Symonds JPR, Arnolds H, King DA
    J PHYS CHEM B, 2004, 38, 14311-14315. DOI: 10.1021/jp049679+


    Driving forces for self-organized coadsorption: C-6-H-6/2O and C-6-H-6/2CO on Ni{111}
    Yamagishi S, Jenkins SJ, King DA
    J AM CHEM SOC, 2004, 35, 10962-10971. DOI: 10.1021/ja048589y


    Car exhaust catalysis from first principles: selective NO reduction under excess O2 conditions on Ir.
    Liu ZP, Jenkins SJ, King DA
    J Am Chem Soc, 2004, 34, 10746-10756. DOI: 10.1021/ja0481833


    Molecular t-matrices for Low-Energy Electron Diffraction (TMOL v1.1)
    Blanco-Rey M, de Andres P, Held G, King DA
    COMPUT PHYS COMMUN, 2004, 3, 166-178. DOI: 10.1016/j.cpc.2004.05.003


    A FORTRAN-90 Low-Energy Electron Diffraction program (LEED90 v1.1)
    Blanco-Rey M, de Andres P, Held G, King DA
    COMPUT PHYS COMMUN, 2004, 3, 151-165. DOI: 10.1016/j.cpc.2004.05.002


    Evidence for a nitrogen-induced reconstruction of Fe {111}
    Escott DK, Pratt SJ, King DA
    SURF SCI, 2004, 01-Mar, 226-236. DOI: 10.1016/j.susc.2004.06.045


    Why is silver catalytically active for NO reduction? A unique pathway via an inverted (NO)2 dimer.
    Liu ZP, Jenkins SJ, King DA
    J Am Chem Soc, 2004, 23, 7336-7340. DOI: 10.1021/ja049126c


    "Reply to 'comment on 'Modelling pattern formation in CO+O-2 on Pt{100}"""
    Irurzun IM, Hoyle RB, Proctor MRE, King DA
    CHEM PHYS LETT, 2004, 01-Mar, 305-306. DOI: 10.1016/j.cplett.2004.03.122


    Theory of methane dehydrogenation on Pt{110}(1x2). Part II: Microscopic reaction pathways for CHx ->CHx-1(x=1-3)
    Petersen MA, Jenkins SJ, King DA
    J PHYS CHEM B, 2004, 19, 5920-5929. DOI: 10.1021/jp037881r


    Theory of methane dehydrogenation on Pt{110}(1x2). Part 1: Chemisorption of CHx (x=0-3)
    Petersen MA, Jenkins SJ, King DA
    J PHYS CHEM B, 2004, 19, 5909-5919. DOI: 10.1021/jp037880z


    Density functional theory study of the interaction of monomeric water with the Ag{111} surface
    Ranea VA, Michaelides A, Ramirez R, Verges JA, de Andres PL, King DA
    PHYS REV B, 2004-05, 20, -. DOI: 10.1103/PhysRevB.69.205411


    Broadband femtosecond sum-frequency spectroscopy of CO on Ru1010 in the frequency and time domains.
    Symonds JP, Arnolds H, Zhang VL, Fukutani K, King DA
    J Chem Phys, 2004, 15, 7158-7164. DOI: 10.1063/1.1669377


    Water dimer diffusion on Pd{111} assisted by an H-bond donor-acceptor tunneling exchange
    Ranea VA, Michaelides A, Ramirez R, de Andres PL, Verges JA, King DA
    PHYS REV LETT, 2004, 13, -. DOI: 10.1103/PhysRevLett.92.136104


    Insight into H2O-ice adsorption and dissociation on metal surfaces from first-principles simulations
    Michaelides A, Alavi A, King DA
    PHYS REV B, 2004-03, 11, -. DOI: 10.1103/PhysRevB.69.113404


    Acetaldehyde chemistry on Ag{111}-(4x4)-Ag1.83O between 77 and 200 K studied by STM
    Webb MJ, Driver SM, King DA
    J PHYS CHEM B, 2004, 6, 1955-1961. DOI: 10.1021/jp036710j


    Surface infra-red emission during alkaki-metal incorporation at an oxide surface
    Hou YC, Jenkins SJ, King DA
    SURF SCI, 2004, 01-Mar, L27-L32. DOI: 10.1016/j.susc.2003.11.043


    First-principles study of H2O diffusion on a metal surface: H2O on Al{100}
    Michaelides A, Ranea VA, de Andres PL, King DA
    PHYS REV B, 2004-02, 7, -. DOI: 10.1103/PhysRevB.69.075409


    Extended mean field approach to analyzing pattern formation in surface chemical reactions
    Mola EE, King DA, Irurzun IM, Rafti M, Vicente JL
    SURF REV LETT, 2004-02, 1, 57-70.


    Why is silver catalytically active for NO reduction? A unique pathway via an inverted (NO)2 dimer
    Liu Z-P, Jenkins SJ, King DA
    Journal of the American Chemical Society, 2004, 23, 7336-7340.


    Role of nanostructured dual-oxide supports in enhanced catalytic activity: Theory of CO oxidation over Au/IrO2/TiO2
    Liu Z-P, Jenkins SJ, King DA
    Physical Review Letters, 2004, 15, 156102-1-156102-4.


    Car exhaust catalysis from first principles: Selective NO reduction under excess O2 conditions on Ir
    Liu Z-P, Jenkins SJ, King DA
    Journal of the American Chemical Society, 2004, 34, 10746-10756.



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