Heriberto Fabio Busnengo
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Chemically accurate simulation of a prototypical surface reaction: H2 dissociation on Cu (111)
C Díaz, E Pijper, RA Olsen, HF Busnengo, DJ Auerbach, GJ Kroes
Science 326 (5954), 832-834, 2009
Representation of the 6D potential energy surface for a diatomic molecule near a solid surface
HF Busnengo, A Salin, W Dong
The Journal of Chemical Physics 112 (17), 7641-7651, 2000
Role of electron-hole pair excitations in the dissociative adsorption of diatomic molecules on metal surfaces
JI Juaristi, M Alducin, RD Muiño, HF Busnengo, A Salin
Physical Review Letters 100 (11), 116102, 2008
Constructing accurate potential energy surfaces for a diatomic molecule interacting with a solid surface: H2+Pt (111) and H2+Cu (100)
RA Olsen, HF Busnengo, A Salin, MF Somers, GJ Kroes, EJ Baerends
The Journal of Chemical Physics 116, 3841, 2002
Dry Reforming of Methane on a Highly‐Active Ni‐CeO2 Catalyst: Effects of Metal‐Support Interactions on C− H Bond Breaking
Z Liu, DC Grinter, PG Lustemberg, TD Nguyen‐Phan, Y Zhou, S Luo, ...
Angewandte Chemie International Edition 55 (26), 7455-7459, 2016
Why N2 Molecules with Thermal Energy Abundantly Dissociate on W(100) and Not on W(110)
M Alducin, R Díez Muiño, HF Busnengo, A Salin
Physical Review Letters 97 (5), 56102, 2006
Analysis of H2 dissociation dynamics on the Pd (111) surface
C Crespos, HF Busnengo, W Dong, A Salin
The Journal of Chemical Physics 114, 10954, 2001
Classical dynamics of dissociative adsorption for a nonactivated system: The role of zero point energy
HF Busnengo, C Crespos, W Dong, JC Rayez, A Salin
The Journal of Chemical Physics 116, 9005, 2002
Surface Temperature Dependence of Rotational Excitation of H2 Scattered from Pd (111)
HF Busnengo, W Dong, P Sautet, A Salin
Physical Review Letters 87 (12), 127601, 2001
Electronic friction dominates hydrogen hot-atom relaxation on Pd (100)
M Blanco-Rey, JI Juaristi, RD Muiño, HF Busnengo, GJ Kroes, M Alducin
Physical review letters 112 (10), 103203, 2014
Surface temperature effects in dynamic trapping mediated adsorption of light molecules on metal surfaces: H2 on Pd (111) and Pd (110)
HF Busnengo, MA Di Césare, W Dong, A Salin
Physical Review B 72 (12), 125411, 2005
Trapping, molecular adsorption, and precursors for nonactivated chemisorption
HF Busnengo, W Dong, A Salin
Physical Review Letters 93 (23), 236103, 2004
Towards bond selective chemistry from first principles: methane on metal surfaces
XJ Shen, A Lozano, W Dong, HF Busnengo, XH Yan
Physical Review Letters 112 (4), 046101, 2014
In-Plane and Out-of-Plane Diffraction of H2 from Metal Surfaces
D Farías, C Díaz, P Rivière, HF Busnengo, P Nieto, MF Somers, GJ Kroes, ...
Physical Review Letters 93 (24), 246104, 2004
Six-dimensional quantum dynamics of scattering of (v= 0, j= 0) H2 from Pt (1 1 1): comparison to experiment and to classical dynamics results
E Pijper, MF Somers, GJ Kroes, RA Olsen, EJ Baerends, HF Busnengo, ...
Chemical Physics Letters 347 (4-6), 277-284, 2001
Six-dimensional quantum and classical dynamics study of H2(v=0,J=0) scattering from Pd(111)
HF Busnengo, E Pijper, MF Somers, GJ Kroes, A Salin, RA Olsen, ...
Chemical Physics Letters 356 (5-6), 515-522, 2002
Dynamics of gas-surface interactions
RD Muiño, HF Busnengo
Series in Surface Science 50, 2013
Role of dynamic trapping in H2 dissociation and reflection on Pd surfaces
MA Di Césare, HF Busnengo, W Dong, A Salin
The Journal of Chemical Physics 118, 11226, 2003
Reactive scattering of H2 from Cu (100): Comparison of dynamics calculations based on the specific reaction parameter approach to density functional theory with experiment
L Sementa, M Wijzenbroek, BJ van Kolck, MF Somers, A Al-Halabi, ...
The Journal of Chemical Physics 138, 044708, 2013
Six-dimensional classical dynamics of H2 dissociative adsorption on Pd (111)
HF Busnengo, W Dong, A Salin
Chemical Physics Letters 320 (3), 328-334, 2000
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