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Results: 1-25/36
Authors:
LUKKIEN JJ
SEGERS JPL
HILBERS PAJ
GELTEN RJ
JANSEN APJ
Citation: Jj. Lukkien et al., EFFICIENT MONTE-CARLO METHODS FOR THE SIMULATION OF CATALYTIC SURFACE-REACTIONS, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics, 58(2), 1998, pp. 2598-2610
Authors:
MILOT R
JANSEN APJ
Citation: R. Milot et Apj. Jansen, 10-DIMENSIONAL WAVE-PACKET SIMULATIONS OF METHANE SCATTERING, The Journal of chemical physics, 109(5), 1998, pp. 1966-1975
Authors:
KOPER MTM
JANSEN APJ
VANSANTEN RA
LUKKIEN JJ
HILBERS PAJ
Citation: Mtm. Koper et al., MONTE-CARLO SIMULATIONS OF A SIMPLE-MODEL FOR THE ELECTROCATALYTIC COOXIDATION ON PLATINUM, The Journal of chemical physics, 109(14), 1998, pp. 6051-6062
Authors:
GELTEN RJ
JANSEN APJ
VANSANTEN RA
LUKKIEN JJ
SEGERS JPL
HILBERS PAJ
Citation: Rj. Gelten et al., MONTE-CARLO SIMULATIONS OF A SURFACE-REACTION MODEL SHOWING SPATIOTEMPORAL PATTERN FORMATIONS AND OSCILLATIONS, The Journal of chemical physics, 108(14), 1998, pp. 5921-5934
Authors:
JANSEN APJ
Citation: Apj. Jansen, MONTE-CARLO SIMULATIONS OF OSCILLATIONS, Journal of molecular catalysis. A, Chemical, 119(1-3), 1997, pp. 125-134
Authors:
HOVI JP
JANSEN APJ
NIEMINEN RM
Citation: Jp. Hovi et al., OSCILLATORY TEMPORAL BEHAVIOR IN AN AUTOCATALYTIC SURFACE-REACTION MODEL, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics, 55(4), 1997, pp. 4170-4178
Authors:
NIEMINEN RM
JANSEN APJ
Citation: Rm. Nieminen et Apj. Jansen, MONTE-CARLO SIMULATIONS OF SURFACE-REACTIONS, Applied catalysis. A, General, 160(1), 1997, pp. 99-123
Authors:
JANSEN APJ
NIEMINEN RM
Citation: Apj. Jansen et Rm. Nieminen, A MONTE-CARLO STUDY OF CO OXIDATION WITH OSCILLATIONS INDUCED BY SITEBLOCKING, The Journal of chemical physics, 106(5), 1997, pp. 2038-2044
Authors:
DEBOER K
JANSEN APJ
VANSANTEN RA
WATSON GW
PARKER SC
Citation: K. Deboer et al., FREE-ENERGY CALCULATIONS OF THERMODYNAMIC, VIBRATIONAL, ELASTIC, AND STRUCTURAL-PROPERTIES OF ALPHA-QUARTZ AT VARIABLE PRESSURES AND TEMPERATURES, Physical review. B, Condensed matter, 54(2), 1996, pp. 826-835
Authors:
DEBOER K
JANSEN APJ
VANSANTEN RA
PARKER SC
Citation: K. Deboer et al., LATTICE-DYNAMICAL STUDY OF THE STRUCTURE AND ELASTICITY OF DODECASIL-3C AT ELEVATED-TEMPERATURES, Physical review. B, Condensed matter, 53(21), 1996, pp. 14073-14079
Authors:
MEIJER EL
VANSANTEN RA
JANSEN APJ
Citation: El. Meijer et al., COMPUTATION OF THE INFRARED-SPECTRUM OF AN ACIDIC ZEOLITE PROTON INTERACTING WITH ACETONITRILE, Journal of physical chemistry, 100(22), 1996, pp. 9282-9291
Authors:
CAPELLINI A
JANSEN APJ
Citation: A. Capellini et Apj. Jansen, CONVERGENCE STUDY OF MULTI-CONFIGURATION TIME-DEPENDENT HARTREE SIMULATIONS - H-2 SCATTERING FROM LIF(001), The Journal of chemical physics, 104(9), 1996, pp. 3366-3372
Authors:
JANSEN APJ
Citation: Apj. Jansen, MONTE-CARLO STUDY OF TEMPERATURE-PROGRAMMED DESORPTION SPECTRA WITH ATTRACTIVE LATERAL INTERACTIONS, Physical review. B, Condensed matter, 52(7), 1995, pp. 5400-5403
Authors:
DEBOER K
JANSEN APJ
VANSANTEN RA
Citation: K. Deboer et al., STRUCTURE-STABILITY RELATIONSHIPS FOR ALL-SILICA STRUCTURES, Physical review. B, Condensed matter, 52(17), 1995, pp. 12579-12590
Authors:
JANSEN APJ
BURGHGRAEF H
Citation: Apj. Jansen et H. Burghgraef, MCTDH STUDY OF CH4 DISSOCIATION ON NI(111), Surface science, 344(1-2), 1995, pp. 149-158
Authors:
BURGHGRAEF H
JANSEN APJ
VANSANTEN RA
Citation: H. Burghgraef et al., METHANE ACTIVATION AND DEHYDROGENATION ON NICKEL AND COBALT - A COMPUTATIONAL STUDY, Surface science, 324(2-3), 1995, pp. 345-356
Authors:
TEUNISSEN EH
JANSEN APJ
VANSANTEN RA
Citation: Eh. Teunissen et al., AB-INITIO EMBEDDED-CLUSTER STUDY OF THE ADSORPTION OF NH3 AND NH4+ INCHABAZITE, Journal of physical chemistry, 99(7), 1995, pp. 1873-1879
Authors:
BURGHGRAEF H
JANSEN APJ
VANSANTEN RA
Citation: H. Burghgraef et al., ELECTRONIC-STRUCTURE CALCULATIONS AND DYNAMICS OF CC COUPLING ON NICKEL AND COBALT, The Journal of chemical physics, 103(15), 1995, pp. 6562-6570
Authors:
TEUNISSEN EH
JANSEN APJ
Citation: Eh. Teunissen et Apj. Jansen, LARGE BASIS-SETS AND GEOMETRY OPTIMIZATIONS IN EMBEDDED-CLUSTER CALCULATIONS, International journal of quantum chemistry, 54(1), 1995, pp. 73-81
Authors:
JANSEN APJ
Citation: Apj. Jansen, MONTE-CARLO SIMULATIONS OF CHEMICAL-REACTIONS ON A SURFACE WITH TIME-DEPENDENT REACTION-RATE CONSTANTS, Computer physics communications, 86(1-2), 1995, pp. 1-12
Authors:
TEUNISSEN EH
ROETTI C
PISANI C
DEMAN AJM
JANSEN APJ
ORLANDO R
VANSANTEN RA
DOVESI R
Citation: Eh. Teunissen et al., PROTON-TRANSFER IN ZEOLITES - A COMPARISON BETWEEN CLUSTER AND CRYSTAL CALCULATIONS, Modelling and simulation in materials science and engineering, 2(4), 1994, pp. 921-932
Authors:
BIEMOLT W
JANSEN APJ
Citation: W. Biemolt et Apj. Jansen, POTENTIAL-ENERGY SURFACES FOR RH-CO FROM DFT CALCULATIONS, Journal of computational chemistry, 15(10), 1994, pp. 1053-1063
Authors:
DEJONG F
JANSEN APJ
Citation: F. Dejong et Apj. Jansen, MOLECULAR-DYNAMICS SIMULATIONS OF ADSORPTION AND DIFFUSION OF XE ON BARE AND XE COVERED PT(111), Surface science, 317(1-2), 1994, pp. 1-7
Authors:
BLASZKOWSKI SR
JANSEN APJ
NASCIMENTO MAC
VANSANTEN RA
Citation: Sr. Blaszkowski et al., DENSITY-FUNCTIONAL THEORY CALCULATIONS OF THE TRANSITION-STATES FOR HYDROGEN-EXCHANGE AND DEHYDROGENATION OF METHANE BY A BRONSTED ZEOLITICPROTON, Journal of physical chemistry, 98(49), 1994, pp. 12938-12944
Authors:
TEUNISSEN EH
JANSEN APJ
VANSANTEN RA
ORLANDO R
DOVESI R
Citation: Eh. Teunissen et al., ADSORPTION ENERGIES OF NH3 AND NH4-RANGE ELECTROSTATIC POTENTIAL OF THE CRYSTAL( IN ZEOLITES CORRECTED FOR THE LONG), The Journal of chemical physics, 101(7), 1994, pp. 5865-5874