SKA Publications

This database is still under construction. It currently holds 1051 articles

56 publications in 2004

Bavel A.P. van, Hermse C.G.M., Hopstaken M.J.P., Jansen A.P.J., Lukkien J.J., Hilbers P.A.J., Niemantsverdriet J.W., Quantifying lateral adsorbate interactions by kinetic Monte-Carlo simulations and density-functional theory: NO dissociation on Rh(100), Phys.Chem.Chem.Phys. (2004) 6, 1830-1836

Beltramo G.L., Shubina T.E., Mitchell S.J., Koper M.T.M., Cyanide adsorption on gold electrodes: a combined surface enhanced Raman spectroscopy and density functional theory study, J. Electroanal. Chem. (2004) 563(1), 111-120 [Online]

Beurden P. van, Kramer G.J., On the (1x1) <--> hex surface phase transformations of clean and CO-covered Pt{100}, J. Chem Phys. (2004) 121(5), 2317-2325 [Online]

Borgna A., Hensen E.J.M., Veen J.A.R. van, Niemantsverdriet J.W., Intrinsic kinetics of thiophene hydrodesulfurization on a sulfided NiMo/SiO2 planar model catalyst, J. Catal. (2004) 221(2), 541-548 [Online]

Duchateau R., Dijkstra T.W., Santen R.A. van , Yap G.P. A., Silsesquioxane Models for Silica Surface Silanol Sites with Adjacent Siloxide Functionalites and Olefin Polymerization Catalysts Thereof, Chem. Eur.J. (2004) 10, 3979-3990 [Online]

Duchateau R., Dijkstra T.W., Severn J.R., Santen R.A. van, Korobkov I.V., Synthesis and characterization of tin containing polyhedral oligometallasilsesquioxanes (POMSS), Dalton Transactions (2004) , 2677-2682 [Online]

Fioroni M, Vogt D., Toluene model for molecular dynamics simulations in the ranges 298 < T (K) < 350 and 0.1 < P (MPa) < 10, J. Phys. Chem. B (2004) 108, 11774-11781 [Online]

Graaf B. de, Adreini A., E.J.M. Hensen E.J.M., Bliek A., Selective hydrogen oxidation in a mixture with ethene and ethane using cerium zirconium oxide, Applied Catalysis A (2004) 262, 201-206

Groot M.T. de, Koper M.T.M., The influence of nitrate concentration and acidity on the electrocatalytic reduction of nitrate on platinum, J. Electroanal. Chem. (2004) 562(1), 81-94 [Online]

Hanssen R.W.J.M., Santen R.A. van, Abbenhuis H.C.L., The dynamic status quo of polyhedral silsesquioxane coordination chemistry, Eur.J.Inorg.Chem. (2004) , 675-683 [Online]

Hartnig C, Koper M.T.M, Molecular Dynamics Simulation of Solvent Reorganization in Ion Transfer Reactions near a Smooth and Corrugated Surface, J.Phys.Chem.B (2004) 108(12), 3824 - 3827 [Online]

Hensen E. J. M. Zhu Q., Hendrix, M. M. R. M. Overweg, A. R. Kooyman, P. J., Sychev M., V. Santen van, R. A., Effect of high-temperature treatment on Fe/ZSM-5 prepared by chemical vapor deposition of FeCl3. I. Physicochemical characterization., J.Catal (2004) 221(2), 560-574 [Online]

Hensen E.J.M., Zhu Q.,. Liu P.-H, Chao K.-J., Santen R.A. van, On the role of aluminum in the selective oxidation of benzene to phenol by nitrous oxide over iron-containing MFI zeolites: an in situ Fe XANES study, J. Catal. (2004) 226, 466-470

Hermse C.G.M., Bavel A.P. van, Jansen A.P.J., Barbosa L.A.M.M., Sautet P., Santen R. A. van, Formation of Chiral Domains for Tartaric Acid on Cu(110): A Combined DFT and Kinetic Monte Carlo Study, J. Phys. Chem. B (2004) 108(30), 11035 -11043 [Online]

Hermse C.G.M., Bavel A.P. van, Koper M.T.M., Lukkien J.J., van Santen R.A., Jansen A.P.J., Modelling the butterfly: (root 3 x root 7) ordering on fcc(111) surfaces, Surf. Sci. (2004) 572 (2-3), 247-260 [Online]

Housmans T.H.M., Feliu J.M., Koper M.T.M., CO oxidation on stepped Rh[n (1 1 1) x (1 1 1)]single crystal electrodes: a voltammetric study, J. Electroanal. Chem. (2004) 572, 79-91

Jansen A.P.J., Monte Carlo simulations of Temperature-Programmed Desorption with lateral interactions, Phys. Rev. B (2004) 69, 035414(1-6) [Online]

Jong A.M. de, Hensen E.J.M., Santen R.A. van, In Situ Positron Emission Tomography and Positron Emission Profiling, ‘In Situ Spectroscopy’ (2004) ,

Kachurovskaya N.A. , Zhidovirov G.M. , Santen R.A. van, Comparative energies of Zn(II) cation localization as a function of the distance between two forming cation position aluminium ions in high-silica zeolites, Res. Chem. Intermed (2004) 30, 99-103

Kachurovskaya N.A., Zhidomirov G.M., Santen R.A. van, Computational study of benzene-to-phenol oxidation catalyzed by N2O on iron-exchanged ferrierite, J. Phys. Chem. B (2004) 108(19), 5944 - 5950 [Online]

Kazansky V.B., Subbotina I.R., Santen R.A. van, Hensen E.J.M., DRIFTS study of the chemical state of gallium ions in reduced Ga/ZSM-5 prepared by impregnation: I. Observation of gallium hydrides and application of CO adsorption as a molecular probe for reduced gallium ions, J. Catal. (2004) 227, 263-269

Ke X., Kramer G.J., Løvvik O.M., The influence of electronic structure on hydrogen absorption in palladium alloys, Condens. Matter (2004) 16(34), 6267-6277 [Online]

Koper M.T.M., Electrocatalysis on bimetallic and alloy surfaces, Surf. Sci. (2004) 548(1-3), 1-3 [Online]

Laag N.J. van der, Snel M.D., Magusin P.C.M.M., With G. de, Structural, elastic, thermophysical and dielectric properties of zinc aluminate (ZnAl2O4), J. Eur. Ceram. Soc. (2004) 24(8), 2417-2424

Meer Y. van der; Hensen E.J.M.; Veen J.A.R. van; Kraan A.M. van der, Characterization and thiophene hydrodesulfurization activity of amorphous-silica-alumina-supported NiW catalysts, J. Catal. (2004) 228, 433-446

Mihaleva V.V., Santen R.A. van, Jansen A.P.J., Quantum Chemical Calculation of Infrared Spectra of Acidic Groups in Chabazite in the Presence of Water, J. Chem. Phys. (2004) 120, 9212-9221 [Online]

Mitchell S.J., Koper M.T.M., An off-lattice model for Br eletrodeposition on Au(1 0 0): from DFT to experiment, Surface Science (2004) 563, 169-182

Mojet B.L., Coulier L., Grondelle J. van, Niemantsverdriet J.W., Santen R.A. van,, Potential of UV-Raman spectroscopy for characterization of sub-monolayer MoOx model catalysts at ambient pressure, Catal. Lett. (2004) 96(1-2), 1-4

Panchenko A., Koper M.T.M., Shubina T.E., Mitchell S.J., Roduner E., Ab Initio calculations of intermediates of oxygen reduction on low-index platinum surfaces, J. Electrochem. Soc. (2004) 151(12), A2016-A2027

Posthumus W., Magusin P.C.M.M., Brokken-Zijp J.C.M., Tinnemans A.H.A., Linde R. van der, Surface modification of oxidic nanoparticles using 3-methacryloxypropyltrimethoxysilane, J. Colloid Interf. Sci. (2004) 269(2), 109-116 [Online]

Prihod’ko R., Hensen E.J.M., Sychev M., Stolyarova I., Shubina T.E., Astrelin I.,Santen R.A. van, Physicochemical and catalytic characterization of non-hydrothermally synthesized Mg-, Ni- and Mg-Ni-saponite-like materials, Microporous and Mesoporous Materials (2004) 69, 49-63

Rijniers L.A., Magusin P.C.M.M., Huinink H.P., Pel L., Kolpinga K., Sodium NMR relaxation in porous materials, J. Magn. Reson. (2004) 167, 25-30 [Online]

Rockenbauer A., Olive G.,Rozanska X., Jacques A., Gigmes D., Le Moigne F., Peeters D., German A., Tordo P., ESR investigation of chemical exchange in geminally diphosphorylated linear nitroxide radicals, J. Phys. Chem. A (2004) 108, 5484-5489

Rosca V., Beltramo G.L., Koper M.T.M., Hydroxylamine electrochemistry at polycrystalline platinum in acidic media: a voltammetric, DEMS and FTIR study, J. Electroanalytical Chem. (2004) 566, 53-62

Rosca V., Beltramo G.L., Koper M.T.M., Hydroxylamine electrochemistry at low-index single-crystal platinum electrodes in acidic media, J. Phys. Chem. B (2004) 108, 8294-8304

Rozanska X., Santen R.A. van, Reaction mechanisms in protonic zeolites, Computer Modelling of Micorporous and Mesoporous Materials, Elsevier (2004) , 165-200

Sablong R., Vlugt J.I. van der, Thomann R., Mecking S., Vogt D., Soluble amphiphilic nanoparticles as non-covalent supports for cationic homogeneous catalysts, Chem. Commun. (2004) submitted,

Salazar R., Jansen A.P.J., Kuzovkov V.N., Synchronization of surface reactions via Turing-like structures, Phys. Rev. E (2004) 69, 031604(1-4) [Online]

Shubina T.E., Hartnig C., Koper M.T.M., Density functional theory study of the oxidation of CO by OH on Au(110) and Pt(111) surfaces, Phys. Chem. Chem. Phys. (2004) 6, 4215-4221

Sobczyk D.P., Grondelle J. van, Schuring D., Jong A.M. de, Santen R.A. van, Adsorption assisted desorption of NH3 on y-alumna studied with positron emission profiling, Catalysis Letters (2004) 94, 37-43

Sobczyk D.P., Grondelle J. van, Thüne P.C., Kieft I.E., Jong A.M. de, Santen R.A. van, Low-temperature ammonia oxidation on platinum sponge studied with positron emission profiling, J. Catal. (2004) 225(2), 466-478

Sun Q., Vrieling E.G., Santen R.A. van, Sommerdijk N.A.J.M., Bioinspired synthesis of mesoporous silicas, Current Opinion in Solid State & Materials Science (2004) 8, 111-120

Tambach T., Hensen E.J.M., Smit B., New insights in swelling montmorillonite simulations, J. Phys. Chem. B (2004) 108(23), 7586-7596

Thompson D.J. , Ciobica I.M. , Hodnett B.K. , Santen R.A. van , Fanning M.O., Electronic structure of the extended vanadyl pyrophosphate (1 0 0) surface, Catalysis Today (2004) 91-92, 177-180

Tooke D.M., Mills A.M., Spek, A.L., Vlugt J.I. van der, Vogt D., Bis[m-3,3',5,5'-tetra-tert-butylbiphenyl-2,2'-diyl phosphonato(1-)]bis[(acetonitrile)carbonylrhodium(I)] dichloromethane sesquisolvate, Acta Crystallographica, Section E: Structure Reports Online (2004) E60, m943-m945

Vanhaeght B., Willem R., Biesemans M., Goderis B., Basiura M., Magusin P.C.M.M., Koning C.E., A WAXD and solid-state NMR study on Cocrystallization in partially cycloaliphatic polyamide 12.6-based copolymers, Macromol. (2004) 37(2), 421-428 [Online]

Vlugt J.I. van der, Ackerstaff J., Dijkstra T.W., Mills A.M., Kooijman H., Spek A.L., Meetsma A., Abbenhuis H.C.L., Vogt D., Versatile phosphite ligands based on silsesquioxane backbones, Advanced Synthesis & Catalysis (2004) 346, 399-412 [Online]

Vlugt J.I. van der, Hewat A.C., Neto S., Sablong R., Mills A.M., Lutz M., Spek A.L., Müller C., Vogt D., Sterically demanding diphosphonite ligands - synthesis and application in nickel-catalyzed isomerization of 2-methyl-3-butenenitrile, Adv. Synth. Catal. (2004) 346, 993-1003 [Online]

Vlugt J.I. van der, Paulusse J.M.J., Zijp E.J., Tijmensen J.A., Mills A.M., Spek A.L., Claver C., Vogt D., Coordination chemistry and asymmetric catalysis catalysis with a chiral diphosphonite, European Journal of Inorganic Chemistry (2004) , 4193 - 420 [Online]

Vlugt J.I. van der, Sablong R., Magusin P.C.M.M., Mills A.M., Spek A.L., Vogt D., Rhodium complexes of sterically constrained diphosphonites - coordination chemistry and catalysis, Organometallics (2004) 23, 3177-3183 [Online]

Vooys A.C.A. de, Beltramo G.L., Riet B. van, Veen J.A.R. van, Koper M.T.M., Mechanisms of electrochemical reduction and oxidation of nitric oxide, Electrochim. Acta (2004) 49(8), 1307-1314 [Online]

Vrieling E.G., Beelen T.P.M., Sun Q., Hazelaar S., Santen R.A. van, Gieskes W.W.C., Ultrasmall, small, and wide angle X-ray scattering analysis of diatom biosilica: interspecific differences in fractal properties, J. Mater. Chem. (2004) 14, 1970-1975

Zhou J, Notten P.H.L., Development of reliable lithium microreference electrodes for long-term In Situ studies of lithium battery systems, Journal of The Electrochemical Society (2004) 151, A2173-A2179

Zhou J., Notten P.H.L., Development of reliable lithium microreference electrodes for long-term In Situ studies of lithium-based battery systems, J. Electrochem. Society (2004) 151, A2173-A2179

Zhu, Q.; van Teeffelen, R. M.; Santen, R. A. van; Hensen, E. J. M., Effect of high-temperature treatment on Fe/ZSM-5 prepared by chemical vapor deposition of FeCl3. II. Nitrous oxide decomposition, selective oxidation of benzene to phenol, and selective reduction of nitric oxide by isobutane., J.Catal. (2004) 221(2), 575-583 [Online]

Zorine V., Magusin P.C.M.M., Santen R.A. van, Rotational motion of alkanes on zeolite ZK-5 studied from 1H-13C NMR cross-relaxation, J. Phys. Chem. B (2004) 108(18), 5600-5608