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Results: 1-25 | 26-34
Results: 1-25/34
6-DIMENSIONAL QUANTUM DYNAMICS OF DISSOCIATIVE CHEMISORPTION OF (NU =0,J = 0) H-2 ON CU(100) (VOL 78, PG 3583, 1997)
Authors: KROES GJ BAERENDS EJ MOWREY RC
Citation: Gj. Kroes et al., 6-DIMENSIONAL QUANTUM DYNAMICS OF DISSOCIATIVE CHEMISORPTION OF (NU =0,J = 0) H-2 ON CU(100) (VOL 78, PG 3583, 1997), Physical review letters, 81(21), 1998, pp. 4781-4781
NEW PREDICTIONS ON MAGNETIC ROTATIONAL TRANSITIONS IN SCATTERING OF H-2 BY LIF(001)
Authors: PIJPER E KROES GJ
Citation: E. Pijper et Gj. Kroes, NEW PREDICTIONS ON MAGNETIC ROTATIONAL TRANSITIONS IN SCATTERING OF H-2 BY LIF(001), Physical review letters, 80(3), 1998, pp. 488-491
THE INFLUENCE OF MOLECULAR ROTATION ON THE DIRECT SUBSURFACE ABSORPTION OF H-2 ON PD(111)
Authors: OLSEN RA KROES GJ BAERENDS EJ
Citation: Ra. Olsen et al., THE INFLUENCE OF MOLECULAR ROTATION ON THE DIRECT SUBSURFACE ABSORPTION OF H-2 ON PD(111), The Journal of chemical physics, 109(6), 1998, pp. 2450-2459
RESONANCE AFFECTED SCATTERING - COMPARISON OF 2 HYBRID METHODS INVOLVING FILTER DIAGONALIZATION AND THE LANCZOS METHOD
Authors: MCCORMACK DA KROES GJ NEUHAUSER D
Citation: Da. Mccormack et al., RESONANCE AFFECTED SCATTERING - COMPARISON OF 2 HYBRID METHODS INVOLVING FILTER DIAGONALIZATION AND THE LANCZOS METHOD, The Journal of chemical physics, 109(13), 1998, pp. 5177-5186
DISSOCIATIVE ADSORPTION OF H-2 ON CU(100) - FIXED-SITE CALCULATIONS FOR IMPACT AT HOLLOW AND TOP SITES
Authors: MOWREY RC KROES GJ BAERENDS EJ
Citation: Rc. Mowrey et al., DISSOCIATIVE ADSORPTION OF H-2 ON CU(100) - FIXED-SITE CALCULATIONS FOR IMPACT AT HOLLOW AND TOP SITES, The Journal of chemical physics, 108(16), 1998, pp. 6906-6915
ACCURACY OF TRAJECTORY METHODS FOR ACTIVATED ADSORPTION OF H-2 ON CU(100)
Authors: MCCORMACK DA KROES GJ
Citation: Da. Mccormack et Gj. Kroes, ACCURACY OF TRAJECTORY METHODS FOR ACTIVATED ADSORPTION OF H-2 ON CU(100), Chemical physics letters, 296(5-6), 1998, pp. 515-520
MOLECULAR-SURFACE STRUCTURE OF ICE(0001) - DYNAMICAL LOW-ENERGY-ELECTRON DIFFRACTION, TOTAL-ENERGY CALCULATIONS AND MOLECULAR-DYNAMICS SIMULATIONS
Authors: MATERER N STARKE U BARBIERI A VANHOVE MA SOMORJAI GA KROES GJ MINOT C
Citation: N. Materer et al., MOLECULAR-SURFACE STRUCTURE OF ICE(0001) - DYNAMICAL LOW-ENERGY-ELECTRON DIFFRACTION, TOTAL-ENERGY CALCULATIONS AND MOLECULAR-DYNAMICS SIMULATIONS, Surface science, 381(2-3), 1997, pp. 190-210
6-DIMENSIONAL QUANTUM DYNAMICS OF DISSOCIATIVE CHEMISORPTION OF (V=0,J=0) H-2 ON CU(100)
Authors: KROES GJ BAERENDS EJ MOWREY RC
Citation: Gj. Kroes et al., 6-DIMENSIONAL QUANTUM DYNAMICS OF DISSOCIATIVE CHEMISORPTION OF (V=0,J=0) H-2 ON CU(100), Physical review letters, 78(18), 1997, pp. 3583-3586
6-DIMENSIONAL QUANTUM DYNAMICS OF DISSOCIATIVE CHEMISORPTION OF H-2 ON CU(100)
Authors: KROES GJ BAERENDS EJ MOWREY RC
Citation: Gj. Kroes et al., 6-DIMENSIONAL QUANTUM DYNAMICS OF DISSOCIATIVE CHEMISORPTION OF H-2 ON CU(100), The Journal of chemical physics, 107(8), 1997, pp. 3309-3323
THE INFLUENCE OF SURFACE MOTION ON THE DIRECT SUBSURFACE ABSORPTION OF H-2 ON PD(111)
Authors: OLSEN RA KROES GJ LOVVIK OM BAERENDS EJ
Citation: Ra. Olsen et al., THE INFLUENCE OF SURFACE MOTION ON THE DIRECT SUBSURFACE ABSORPTION OF H-2 ON PD(111), The Journal of chemical physics, 107(24), 1997, pp. 10652-10661
PHOTODISSOCIATION OF CH2 .6. 3-DIMENSIONAL QUANTUM DYNAMICS OF THE DISSOCIATION THROUGH THE COUPLED 2A'' AND 3A'' STATES
Authors: KROES GJ VANHEMERT MC BILLING GD NEUHAUSER D
Citation: Gj. Kroes et al., PHOTODISSOCIATION OF CH2 .6. 3-DIMENSIONAL QUANTUM DYNAMICS OF THE DISSOCIATION THROUGH THE COUPLED 2A'' AND 3A'' STATES, The Journal of chemical physics, 107(15), 1997, pp. 5757-5770
AVOIDING LONG PROPAGATION TIMES IN WAVE-PACKET CALCULATIONS ON SCATTERING WITH RESONANCES - A NEW ALGORITHM INVOLVING FILTER DIAGONALIZATION
Authors: KROES GJ WALL MR PANG JW NEUHAUSER D
Citation: Gj. Kroes et al., AVOIDING LONG PROPAGATION TIMES IN WAVE-PACKET CALCULATIONS ON SCATTERING WITH RESONANCES - A NEW ALGORITHM INVOLVING FILTER DIAGONALIZATION, The Journal of chemical physics, 106(5), 1997, pp. 1800-1807
DIRECT SUBSURFACE ABSORPTION OF HYDROGEN ON PD(111) - QUANTUM-MECHANICAL CALCULATIONS ON A NEW 2-DIMENSIONAL POTENTIAL-ENERGY SURFACE
Authors: OLSEN RA PHILIPSEN PHT BAERENDS EJ KROES GJ LOVVIK OM
Citation: Ra. Olsen et al., DIRECT SUBSURFACE ABSORPTION OF HYDROGEN ON PD(111) - QUANTUM-MECHANICAL CALCULATIONS ON A NEW 2-DIMENSIONAL POTENTIAL-ENERGY SURFACE, The Journal of chemical physics, 106(22), 1997, pp. 9286-9296
DISSOCIATIVE ADSORPTION OF H-2 ON CU(100) - A 4-DIMENSIONAL STUDY OF THE EFFECT OF ROTATIONAL MOTION ON THE REACTION DYNAMICS
Authors: MOWREY RC KROES GJ WIESENEKKER G BAERENDS EJ
Citation: Rc. Mowrey et al., DISSOCIATIVE ADSORPTION OF H-2 ON CU(100) - A 4-DIMENSIONAL STUDY OF THE EFFECT OF ROTATIONAL MOTION ON THE REACTION DYNAMICS, The Journal of chemical physics, 106(10), 1997, pp. 4248-4259
PHOTODISSOCIATION OF CH2(1 B-3(1)) THROUGH THE COUPLED 2-A'' AND 3-A'' STATES - QUANTITATIVE BRANCHING RATIOS FOR THE PRODUCTION OF CH-2(H AND C+H)
Authors: KROES GJ VANHEMERT MC BILLING GD NEUHAUSER D
Citation: Gj. Kroes et al., PHOTODISSOCIATION OF CH2(1 B-3(1)) THROUGH THE COUPLED 2-A'' AND 3-A'' STATES - QUANTITATIVE BRANCHING RATIOS FOR THE PRODUCTION OF CH-2(H AND C+H), Chemical physics letters, 271(4-6), 1997, pp. 311-319
COMPETITION BETWEEN VIBRATIONAL-EXCITATION AND DISSOCIATION IN COLLISIONS OF H-2 WITH CU(100)
Authors: KROES GJ WIESENEKKER G BAERENDS EJ MOWREY RC
Citation: Gj. Kroes et al., COMPETITION BETWEEN VIBRATIONAL-EXCITATION AND DISSOCIATION IN COLLISIONS OF H-2 WITH CU(100), Physical review. B, Condensed matter, 53(15), 1996, pp. 10397-10401
AVOIDING LONG PROPAGATION TIMES IN WAVE-PACKET CALCULATIONS ON SCATTERING WITH RESONANCES - A HYBRID APPROACH INVOLVING THE LANCZOS METHOD
Authors: KROES GJ NEUHAUSER D
Citation: Gj. Kroes et D. Neuhauser, AVOIDING LONG PROPAGATION TIMES IN WAVE-PACKET CALCULATIONS ON SCATTERING WITH RESONANCES - A HYBRID APPROACH INVOLVING THE LANCZOS METHOD, The Journal of chemical physics, 105(20), 1996, pp. 9104-9114
PERFORMANCE OF A TIME-INDEPENDENT SCATTERING WAVE-PACKET TECHNIQUE USING REAL OPERATORS AND WAVE-FUNCTIONS
Authors: KROES GJ NEUHAUSER D
Citation: Gj. Kroes et D. Neuhauser, PERFORMANCE OF A TIME-INDEPENDENT SCATTERING WAVE-PACKET TECHNIQUE USING REAL OPERATORS AND WAVE-FUNCTIONS, The Journal of chemical physics, 105(19), 1996, pp. 8690-8698
DISSOCIATIVE CHEMISORPTION OF H-2 ON CU(100) - A 4-DIMENSIONAL STUDY OF THE EFFECT OF PARALLEL TRANSLATIONAL MOTION ON THE REACTION DYNAMICS
Authors: KROES GJ WIESENEKKER G BAERENDS EJ MOWREY RC NEUHAUSER D
Citation: Gj. Kroes et al., DISSOCIATIVE CHEMISORPTION OF H-2 ON CU(100) - A 4-DIMENSIONAL STUDY OF THE EFFECT OF PARALLEL TRANSLATIONAL MOTION ON THE REACTION DYNAMICS, The Journal of chemical physics, 105(14), 1996, pp. 5979-5998
AN ANALYTICAL 6-DIMENSIONAL POTENTIAL-ENERGY SURFACE FOR DISSOCIATIONOF MOLECULAR-HYDROGEN ON CU(100)
Authors: WIESENEKKER G KROES GJ BAERENDS EJ
Citation: G. Wiesenekker et al., AN ANALYTICAL 6-DIMENSIONAL POTENTIAL-ENERGY SURFACE FOR DISSOCIATIONOF MOLECULAR-HYDROGEN ON CU(100), The Journal of chemical physics, 104(18), 1996, pp. 7344-7358
MOLECULAR-SURFACE STRUCTURE OF A LOW-TEMPERATURE ICE IH(0001) CRYSTAL
Authors: MATERER N STARKE U BARBIERI A VANHOVE MA SOMORJAI GA KROES GJ MINOT C
Citation: N. Materer et al., MOLECULAR-SURFACE STRUCTURE OF A LOW-TEMPERATURE ICE IH(0001) CRYSTAL, Journal of physical chemistry, 99(17), 1995, pp. 6267-6269
H2O PHOTODISSOCIATION DYNAMICS BASED ON POTENTIAL-ENERGY SURFACES FROM DENSITY-FUNCTIONAL CALCULATIONS
Authors: DOUBLET ML KROES GJ BAERENDS EJ ROSA A
Citation: Ml. Doublet et al., H2O PHOTODISSOCIATION DYNAMICS BASED ON POTENTIAL-ENERGY SURFACES FROM DENSITY-FUNCTIONAL CALCULATIONS, The Journal of chemical physics, 103(7), 1995, pp. 2538-2547
SCATTERING OF H-2 BY LIF(001) STUDIED USING A NEW MODEL POTENTIAL .1.PREDICTION OF LARGE DIFFERENCES IN DIFFRACTION OF COLD BEAMS OF PARA-H-2, AND NORMAL-H-2
Authors: KROES GJ MOWREY RC
Citation: Gj. Kroes et Rc. Mowrey, SCATTERING OF H-2 BY LIF(001) STUDIED USING A NEW MODEL POTENTIAL .1.PREDICTION OF LARGE DIFFERENCES IN DIFFRACTION OF COLD BEAMS OF PARA-H-2, AND NORMAL-H-2, The Journal of chemical physics, 103(6), 1995, pp. 2186-2201
APPLICATION OF AN EFFICIENT ASYMPTOTIC ANALYSIS METHOD TO MOLECULE-SURFACE SCATTERINGE
Authors: MOWREY RC KROES GJ
Citation: Rc. Mowrey et Gj. Kroes, APPLICATION OF AN EFFICIENT ASYMPTOTIC ANALYSIS METHOD TO MOLECULE-SURFACE SCATTERINGE, The Journal of chemical physics, 103(3), 1995, pp. 1216-1225
PERFORMANCE OF CLOSE-COUPLED WAVE-PACKET METHODS FOR MOLECULE-CORRUGATED SURFACE SCATTERING
Authors: KROES GJ SNIJDERS JG MOWREY RC
Citation: Gj. Kroes et al., PERFORMANCE OF CLOSE-COUPLED WAVE-PACKET METHODS FOR MOLECULE-CORRUGATED SURFACE SCATTERING, The Journal of chemical physics, 103(12), 1995, pp. 5121-5136
Risultati: 1-25 | 26-34