Drastic symmetry breaking in supramolecular organization of enantiomerically unbalanced monolayers at surfaces von Raval, Rasmita, Haq, Sam, Liu, Ning, Humblot, Vincent, Jansen, A. P. J

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An Introduction to Kinetic Monte Carlo Simulations of Surface Reactions von Jansen, A.P.J

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Methane Formation on Corrugated Ru Surfaces von Shetty, Sharan, Jansen, A. P. J, van Santen, Rutger A

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Cubic MgH2 stabilized by alloying with transition metals : A density functional theory study von PAUW, B. R, KALISVAART, W. P, TAO, S. X, KOPER, M. T. M, JANSEN, A. P. J, NOTTEN, P. H. L

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Active Sites for N2 Dissociation on Ruthenium von Shetty, S, Jansen, A. P. J, van Santen, R. A

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Parameterization of a reactive force field using a Monte Carlo algorithm von Iype, E., Hütter, M., Jansen, A. P. J., Nedea, S. V., Rindt, C. C. M.

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Coupling of kinetic Monte Carlo simulations of surface reactions to transport in a fluid for heterogeneous catalytic reactor modeling von Schaefer, C, Jansen, A P J

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Density functional theory study of NO on the Rh(1 0 0) surface von Popa, C., van Bavel, A.P., van Santen, R.A., Flipse, C.F.J., Jansen, A.P.J.

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Density distribution for a dense hard-sphere gas in micro/nano-channels: Analytical and simulation results von Nedea, S.V., Frijns, A.J.H., van Steenhoven, A.A., Jansen, A.P.J., Markvoort, A.J., Hilbers, P.A.J.

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Ammonia activation on platinum {1 1 1}: A density functional theory study von Offermans, W.K., Jansen, A.P.J., van Santen, R.A.

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Ammonia Dissociation on Pt{100}, Pt{111}, and Pt{211}:  A Comparative Density Functional Theory Study von Offermans, W. K, Jansen, A. P. J, van Santen, R. A, Novell-Leruth, G, Ricart, J. M, Pérez-Ramírez, J

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DFT Study on Characterization of Hydrogen Bonds in the Hydrates of MgSO4 von Iype, Eldhose, Nedea, Silvia V, Rindt, Camilo C. M, van Steenhoven, Anton A, Zondag, Herbert A, Jansen, A. P. J

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Location of Mg Cations in Mordenite Zeolite Studied by IR Spectroscopy and Density Functional Theory Simulations with a CO Adsorption Probe von Sun, Keju, Su, Weiguang, Fan, Fengtao, Feng, Zhaochi, Jansen, Tonek A. P. J, van Santen, Rutger A, Li, Can

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Catalytic ammonia oxidation on platinum: mechanism and catalyst restructuring at high and low pressure von Imbihl, R, Scheibe, A, Zeng, Y F, Günther, S, Kraehnert, R, Kondratenko, V A, Baerns, M, Offermans, W K, Jansen, A P J, van Santen, R A

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Monte Carlo simulations of a simple model for the electrocatalytic CO oxidation on platinum von Koper, M. T. M., Jansen, A. P. J., van Santen, R. A., Lukkien, J. J., Hilbers, P. A. J.

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Lattice Gas Model for CO Electrooxidation on Pt−Ru Bimetallic Surfaces von Koper, M. T. M, Lukkien, J. J, Jansen, A. P. J, van Santen, R. A

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A multiconfiguration time-dependent Hartree approximation based on natural single-particle states von JANSEN, A. P. J

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Kinetics of zeolite-catalyzed heptane hydroisomerization and hydrocracking with CBMC-modeled adsorption terms: Zeolite Beta as a large pore base case von Agarwal, Umang, Rigutto, Marcello S., Zuidema, Erik, Jansen, A.P.J., Poursaeidesfahani, Ali, Sharma, Shrinjay, Dubbeldam, David, Vlugt, Thijs J.H.

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Quantifying lateral adsorbate interactions by kinetic Monte-Carlo simulations and density-functional theory: NO dissociation on Rh(100) von VAN BAVEL, A. P, HERMSE, C. G. M, HOPSTAKEN, M. J. P, JANSEN, A. P. J, LUKKIEN, J. J, HILBERS, P. A. J, NIEMANTSVERDRIET, J. W

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Modelling the butterfly: ( 3 × 7 ) ordering on fcc(1 1 1) surfaces von Hermse, C.G.M., van Bavel, A.P., Koper, M.T.M., Lukkien, J.J., van Santen, R.A., Jansen, A.P.J.

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