LOMBARDI, JUAN M.; GRUMELLI, DORIS; GUTZLER, RICO; BUSNENGO, H. FABIO; ABUFAGER, PAULA

Structure and Stability of Metalloporphyrin Networks on Au(111)

JOURNAL OF PHYSICAL CHEMISTRY C; Año: 2023 vol. 127 p. 6569 - 6577

TCHAKOUA, THEOPHILE; POWELL, ANDREW D.; GERRITS, NICK; SOMERS, MARK F.; DOBLHOFF-DIER, KATHARINA; BUSNENGO, HERIBERTO F.; KROES, GEERT-JAN

Simulating Highly Activated Sticking of H2on Al(110): Quantum versus Quasi-Classical Dynamics

JOURNAL OF PHYSICAL CHEMISTRY C; Año: 2023 vol. 127 p. 5395 - 5407

GONZALEZ, FEDERICO J.; SEMINARA, GIULIA N.; LÓPEZ, MIRANDA I.; LOMBARDI, JUAN M.; RAMOS, MAXIMILIANO; TACHINO, CARMEN A.; MARTÍNEZ, ALEJANDRA E.; BUSNENGO, H. FABIO

Assessing the dynamics of CO adsorption on Cu(110) using the vdW-DF2 functional and artificial neural networks

JOURNAL OF CHEMICAL PHYSICS; Año: 2023 vol. 159

VEJAYAN, HARMINA; GUTIÉRREZ-GONZÁLEZ, ANA; TORIO, MARÍA E.; BUSNENGO, H. FABIO; BECK, RAINER D.

Methylidyne Adsorption on Pt(211) Probed by Reflection Absorption Infrared Spectroscopy (RAIRS)

JOURNAL OF PHYSICAL CHEMISTRY C; Año: 2022 vol. 126 p. 20886 - 20891

PELUDHERO, I.F.; GUTIÉRREZ-GONZÁLEZ, A.; DONG, W.; BECK, R.D.; BUSNENGO, H.F.

Dissociative Sticking Probability of Methane on Pt(110)-(2×1)

JOURNAL OF PHYSICAL CHEMISTRY C; Año: 2021 vol. 125 p. 11904 - 11915

ALEJANDRO RIVERO SANTAMARı́A; MAXIMILIANO RAMOS; MAITE ALDUCIN; BUSNENGO, HERIBERTO FABIO; RICARDO DIEZ MUIÑO; JUARISTI, JOSEBA IÑAKI

High-Dimensional Atomistic Neural Network Potential to Study the Alignment-Resolved O2 Scattering from Highly Oriented Pyrolytic Graphite.

JOURNAL OF PHYSICAL CHEMISTRY A; Año: 2021

ALEXA, PATRICK; LOMBARDI, JUAN MANUEL; ABUFAGER, PAULA; BUSNENGO, HERIBERTO FABIO; GRUMELLI, DORIS; VYAS, VIJAY S.; HAASE, FREDERIK; LOTSCH, BETTINA V.; GUTZLER, RICO; KERN, KLAUS

Enhancing Hydrogen Evolution Activity of Au(111) in Alkaline Media through Molecular Engineering of a 2D Polymer

Angewandte Chemie; Año: 2020 vol. 59 p. 8411 - 8415

FALLAQUE, J. G.; RAMOS, M.; BUSNENGO, H. F.; MARTÍN, F.; DÍAZ, C.

Normal and off-normal incidence dissociative dynamics of O2( v,J) on ultrathin Cu films grown on Ru(0001)

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: CAMBRIDGE; Año: 2020 vol. 23 p. 7768 - 7776

MOIRAGHI, RAQUEL; LOZANO, ARIEL; PETERSON, ERIC; UTZ, ARTHUR; DONG, WEI; BUSNENGO, H. FABIO

Nonthermalized Precursor-Mediated Dissociative Chemisorption at High Catalysis Temperatures

The Journal of Physical Chemistry Letters; Año: 2020 vol. 11 p. 2211 - 2218

TORIO, M.E.; BUSNENGO, H.F.

Site-Specific Product Selectivity of Stepped Pt Surfaces for Methane Dehydrogenation

JOURNAL OF PHYSICAL CHEMISTRY C; Año: 2020 vol. 124 p. 19649 - 19654

PEÑA-TORRES, A.; BUSNENGO, H. F.; JUARISTI, J. I.; LARREGARAY, P.; CRESPOS, C.

Energy Dissipation Effects on the Adsorption Dynamics of N 2 on W(100)

JOURNAL OF PHYSICAL CHEMISTRY C; Año: 2019 vol. 123 p. 2900 - 2910

RAMOS, M.; DÍAZ, C.; MARTÍNEZ, A.E.; MARTÍN, F.; BUSNENGO, H.F.

Thickness-Dependent Reactivity of O2 on Cu Layers Grown on Ru(0001) Surfaces

JOURNAL OF PHYSICAL CHEMISTRY C; Año: 2018 vol. 122 p. 15529 - 15538

PEÑA-TORRES, ALEJANDRO; BUSNENGO, H. FABIO; JUARISTI, J. IÑAKI; LARREGARAY, PASCAL; CRESPOS, CÉDRIC

Dynamics of N 2 sticking on W(100): The decisive role of van der Waals interactions

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Año: 2018 vol. 20 p. 19326 - 19331

GALPARSORO, OIHANA; BUSNENGO, H. FABIO; MARTINEZ, ALEJANDRA E.; JUARISTI, JOSEBA IÑAKI; ALDUCIN, MAITE; LARREGARAY, PASCAL

Energy dissipation to tungsten surfaces upon hot-atom and Eley-Rideal recombination of H2

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Año: 2018 vol. 20 p. 21334 - 21344

HÖTGER, DIANA; ABUFAGER, PAULA; MORCHUTT, CLAUDIUS; ALEXA, PATRICK; GRUMELLI, DORIS; DREISER, JAN; STEPANOW, SEBASTIAN; GAMBARDELLA, PIETRO; BUSNENGO, H. FABIO; ETZKORN, MARKUS; GUTZLER, RICO; KERN, KLAUS

On-surface transmetalation of metalloporphyrins

Nanoscale; Año: 2018 vol. 10 p. 21116 - 21122

GALPARSORO, OIHANA; BUSNENGO, HERIBERTO FABIO; JUARISTI, JOSEBA IÑAKI; CRESPOS, CÉDRIC; ALDUCIN, MAITE; LARREGARAY, PASCAL

Communication: Hot-atom abstraction dynamics of hydrogen from tungsten surfaces: The role of surface structure

JOURNAL OF CHEMICAL PHYSICS; Año: 2017 vol. 147

M. RAMOS; C. DÍAZ; A.E. MARTÍNEZ; H. F. BUSNENGO; F. MARTÍN

Dissociative and non dissociative adsorption of O2 on Cu(111) and CuML /Ru(0001) surfaces: adiabaticy takes over

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: CAMBRIDGE; Año: 2017

Z. LIU; D. GRINTER; P. LUSTEMBERG; T. NGUYEN-PHAN; E.W. PETERSON; S. LUO; I. WALUYO; E. CRUMLIN; D.J. STACCHIOLA; J. ZHOU; J. CARRASCO; H. FABIO BUSNENGO; M. VERÓNICA GANDUGLIA-PIROVANO; S SENANAYAKE; J. RODRIGUEZ

Dry reforming of Methane on a highly-active Ni-CeO2 catalyst: Effects of metal-support interactions on C-H bond breaking

Angewandte Chemie; Lugar: Weinheim; Año: 2016 vol. 55 p. 7455 - 7459

R. MOIRAGHI; A. LOZANO; BUSNENGO, H.F.

Theoretical Study of the Dissociative Adsorption of Methane on Ir(111): The Role of Steps and Surface Distortions at High Temperatures

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: Washington; Año: 2016 vol. 120 p. 3946 - 3954

M. RAMOS; A.E. MARTÍNEZ; BUSNENGO, H.F.

Dissociative Adsorption of H2 on PtRu Bimetallic Surfaces

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: Washington; Año: 2016 vol. 120 p. 7201 - 7212

R. PÉTUYA; P. LARRÉGARAY; C. CRESPOS; P. AUREL; H.F. BUSNENGO; A.E. MARTÍNEZ

Scattering of Atomic Hydrogen Off a H‐Covered W(110) Surface: Hot- Atom versus Eley−Rideal Abstraction Dynamics

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: Washington; Año: 2015 vol. 119 p. 3171 - 3179

A. LOZANO; X.J. SHEN; R. MOIRAGHI; W. DONG; H.F. BUSNENGO

Cutting a chemical bond with demon's scissors: Mode- and bond-selective reactivity of methane on metal surfaces

SURFACE SCIENCE; Lugar: Amsterdam; Año: 2015 vol. 640 p. 25 - 35

P. LUSTEMBERG; BOSCO, M.V.; A. BONIVARDI; BUSNENGO, H.F.; M.V. GANDUGLIA-PIROVANO

Insights into the Nature of Formate Species in the Decomposition and Reaction of Methanol over Cerium Oxide Surfaces: A Combined Infrared Spectroscopy and Density Functional Theory Study

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: Washington; Año: 2015 vol. 119 p. 21452 - 21464

PETUYA, R.; LARRÉGARAY, P.; CRESPOS. C.; BUSNENGO, H.F.; MARTÍNEZ, A.E.

Dynamics of H2 Eley-Rideal abstraction from W(110): Sensitivity to the representation of the molecule-surface potential

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2014 vol. 141 p. 24701 - 24710

X. SHEN; A. LOZANO; DONG, W.; BUSNENGO, H.F.; X. YAN

Towards bond selective chemistry from first principles: Methane on metal surfaces

PHYSICAL REVIEW LETTERS; Lugar: New York; Año: 2014 vol. 112 p. 46101 - 46105

ABUFAGER, P.N.; ZAMPIERI, G.; K. REUTER; MARTIARENA, M.L.; BUSNENGO, H.F.

Long Range Periodicity of S/Au(111) Structures at Low and Intermediate Coverages

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: Washington; Año: 2014 vol. 118 p. 290 - 297

BLANCO-REY, M.; JUARISTI, J.I.; DÍEZ MUIÑO, R.; BUSNENGO, H.F.; KROES, G.-J.; ALDUCIN, M.

Electronic Friction Dominates Hydrogen Hot Atom Relaxation on Pd(100).

PHYSICAL REVIEW LETTERS; Lugar: New York; Año: 2014 vol. 112 p. 103203 - 103207

Y. WANG; J.G. SOLANO CANCHAYA; DONG, W.; M. ALCAMÍ; H.F. BUSNENGO; F. MARTÍN

Chain-Length and Temperature Dependence of Self-Assembled Monolayers of Alkylthiolates on Au(111) and Ag(111) Surfaces.

JOURNAL OF PHYSICAL CHEMISTRY A; Lugar: Washington; Año: 2014 vol. 118 p. 4138 - 4146

LUSTEMBERG, P.; ABUFAGER, P.N.; MARTIARENA, M.L.; BUSNENGO, H.F.

Adsorption of methanethiol on Au(1 1 1): Role of hydrogen bonds.

CHEMICAL PHYSICS LETTERS; Lugar: Amsterdam; Año: 2014 vol. 610 p. 381 - 387

LUCA SEMENTA; MARK WIJZENBROEK; B. J. VAN KOLCK; M. F. SOMERS; A. AL-HALABI; H. F. BUSNENGO; OLSEN, R.A.; G. J. KROES; M. RUTKOWSKI; C. THEWES; N. F. KLEIMEIER; H. ZACHARIAS

Reactive scattering of H2 from Cu(100): comparison of dynamics calculations based on the specific reaction parameter approach to density functional theory with experiment.

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2013 vol. 138 p. 44708 - 44727

M.BONFANTI; M.F. SOMERS; C. DÍAZ; BUSNENGO, H.F.; KROES, G.J.

7D Quantum Dynamicsof H2 scattering form Cu(111): the accuracy of the phonon sudden approximation.

Zeitschrift für Physikalische Chemie; Lugar: Munich; Año: 2013 vol. 227 p. 1397 - 1420

M. RAMOS; MINNITI; C. DÍAZ; FARÍAS, D.; MIRANDA, R.; MARTÍN, F.; A.E. MARTÍNEZ; BUSNENGO, H.F.

Environment-driven reactivity of H2 on PdRu surface alloys

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: CAMBRIDGE; Año: 2013 vol. 15 p. 14936 - 14940

Y. WANG; J.G. SOLANO CANCHAYA; M. ALCAMÍ; H.F. BUSNENGO; F. MARTÍN

Commensurate solid-solid phase transitions in selfassembeled monolayers of alkylthiolates lying on metal surfaces.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY; Lugar: Washington; Año: 2012 vol. 134 p. 13224 - 13227

X. SHEN; Y. XIAO; W. DONG; X. YAN; H.F. BUSNENGO

Molecular dynamics simulations based on reactive force-fields for surface chemical reactions.

Computational and Theoretical Chemistry; Año: 2012 vol. 990 p. 152 - 158

M. RAMOS; A.E. MARTÍNEZ; H.F. BUSNENGO

H2 dissociation on individual Pd atoms deposite don Cu(111).

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: CAMBRIDGE; Año: 2012 vol. 12 p. 303 - 310

S. SAKONG; C. MOSCH; A. LOZANO; H.F. BUSNENGO; A. GROSS

Lowering Energy Barriers in Surface Reactions through Concerted Reaction Mechanisms

Chemphyschem; Lugar: Weinheim; Año: 2012 vol. 13 p. 3467 - 3471

ABUFAGER, P.N.; L. ALVAREZ SORIA; MARTIARENA, M.L.; K. REUTER; H.F. BUSNENGO

Structure of the methylthiolate monolayer on Ag(111): The role of substrate vacancies.

CHEMICAL PHYSICS LETTERS; Lugar: Amsterdam; Año: 2011 vol. 503 p. 71 - 74

ABUFAGER, P.N.; J.G. SOLANO CANCHAYA; Y. WANG; M. ALCAMÍ; F. MARTÍN; L. ALVAREZ SORIA; MARTIARENA, M.L.; K. REUTER; H.F. BUSNENGO

Theoretical study of the structure of self-assembled monolayers of short alkylthiolates on Au(111) and Ag(111): the role of induced surface reconstruction and chain-chain interactions

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: CAMBRIDGE; Año: 2011 vol. 13 p. 9353 - 9362

M.N. BATISTA; H.F. BUSNENGO; MARTÍNEZ, A.E.

Dynamics of scattering and dissociative adsorption on a surface alloy: H2/W(100)-c(2 × 2)Cu

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: CAMBRIDGE; Año: 2011 vol. 13 p. 4614 - 4624

Y. XIAO; W. DONG; H.F. BUSNENGO

Reactive force fields for surface chemical reactions: A case study with hydrogen dissociation on Pd surfaces

JOURNAL OF CHEMICAL PHYSICS; Lugar: Chicago; Año: 2010 vol. 132 p. 14704 - 14715

C. DÍAZ; R.A. OLSEN; H.F. BUSNENGO; G.J. KROES

Dynamics on Six-Dimensional Potential Energy Surfaces for H2/Cu(111): Corrugation Reducing Procedure versus Modified Shepard Interpolation Method and PW91 versus RPBE

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: Washington DC; Año: 2010 vol. 114 p. 11192 - 11201

J.G. SOLANO CANCHAYA; Y. WANG; M. ALCAMÍ; F. MARTÍN; H. F. BUSNENGO

Study of the interaction between short alkanethiols from ab initio calculations

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: Londres; Año: 2010 vol. 12 p. 7555 - 7565

A. LOZANO; A. GROSS; H.F. BUSNENGO

Molecular dynamics study of H2 dissociation on H-covered Pd(100)

PHYSICAL REVIEW B; Lugar: Maryland; Año: 2010 vol. 81 p. 121402 - 121405

G. LAURENT; C. DÍAZ; H.F. BUSNENGO; F. MARTÍN

Nonmonotonic dissociative adsorption of vibrationally excited H2 on metal surfaces

PHYSICAL REVIEW B; Lugar: Mariland; Año: 2010 vol. 81 p. 161404 - 161407

C.ARASA; V. MORÓN; H.F. BUSNENGO; R. SAYÓS

Eley–Rideal reaction dynamics between O atoms on Beta-cristobalite (100) surface: A new interpolated potential energy surface and classical trajectory study

SURFACE SCIENCE; Lugar: Amsterdam; Año: 2009 vol. 603 p. 2742 - 2751

A. LOZANO; A. GROSS; H.F. BUSNENGO

Adsorption dynamics of H2 on Pd(100) from first principles

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: Londres; Año: 2009 vol. 11 p. 5814 - 5822

G. LAURENT; F. MARTÍN; H.F. BUSNENGO

Theoretical study of hydrogen dissociative adsorption on strained pseudomorphic monolayers of Cu and Pd deposited onto a Ru(0001) substrate

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: Londres; Año: 2009 vol. 11 p. 7303 - 7311

C. DÍAZ; E. PIJPER; R. A. OLSEN; H.F. BUSNENGO; D. J. AUERBACH; G. J. KROES

Chemically Accurate Simulation of a Prototypical Surface Reaction: H2 Dissociation on Cu(111)

SCIENCE; Lugar: Washington DC; Año: 2009 vol. 326 p. 832 - 834

C.A. RAMÍREZ; H.F. BUSNENGO

Comparative dynamical study of the HD and H2 isotopomers interacting with Pd(111) and Cu(110) surfaces

SURFACE SCIENCE; Lugar: Amsterdam; Año: 2009 vol. 603 p. 3171 - 3178

LUSTEMBERG, P.; MARTIARENA, M.L.; MATÍNEZ, A.E.; BUSNENGO, H.F.

The reaction pathways for HSCH3 adsorption on Au(111) : a Density Functional Theory study.

LANGMUIR; Lugar: Washington; Año: 2008 vol. 24 p. 3274 - 3279

ARASA, C.; BUSNENGO, H.F.; SALIN, A.; SAYÓS, R.

Classical dynamics study of atomic oxygen sticking on the beta-Cristobalite(100) surface.

SURFACE SCIENCE; Lugar: Amsterdam; Año: 2008 vol. 602 p. 975 - 985

JUARISTI, I.; ALDUCIN, M.; DÍEZ MUIÑO, R.; BUSNENGO, H.F.; SALIN, A.

Role of electron-hole pair excitations in the dissociative adsorption of diatomic molecules on metal surfaces.

PHYSICAL REVIEW LETTERS; Lugar: New York; Año: 2008 vol. 100 p. 116102 - 116105

BUSNENGO, H.F.; MARTÍNEZ, A.E.

H2 chemisorption on W(100) and W(110) surfaces.

Journal of Physical Chemistry C; Año: 2008 vol. 112 p. 5579 - 5588

BOCÁN, G.A.; DÍEZ MUIÑO, R.; ALDUCIN, M.; BUSNENGO, H.F.; SALIN, A.

Probing exchange-correlation functionals in the dynamics of N2 dissociation on W surfaces.

JOURNAL OF CHEMICAL PHYSICS; Año: 2008 vol. 128 p. 154704 - 154711

LAURENT, G.; BUSNENGO, H.F.; RIVIÈRE, P.; MARTÍN, F.

H2 reactivity on strained pseudomorphic monolayers of Cu and Pd on Ru(0001).

PHYSICAL REVIEW B - CONDENSED MATTER AND MATERIALS PHYSICS; Año: 2008 vol. 77 p. 193408 - 193411

ABUFAGER, P.N.; LUSTEMBERG, P.; CRESPOS, C.; BUSNENGO, H.F.

DFT Study of Dissociative Adsorption of Hydrogen Sulfide on Cu(111) and Au(111)

LANGMUIR; Año: 2008 vol. 24 p. 14022 - 14026

ALDUCIN, M.; BUSNENGO, H.F.; DÍEZ MUIÑO, R.

Dissociative dynamics of spin-triplet and spin-singlet O2 on Ag(100)

JOURNAL OF CHEMICAL PHYSICS; Año: 2008 vol. 129 p. 224702 - 224712

ABUFAGER, P.N.; CRESPOS, C.; BUSNENGO, H.F.

Modified Shepard interpolation method applied to trapping mediated adsorption dynamics.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Año: 2007 vol. 9 p. 2258 - 2265

FARÍAS, D.; BUSNENGO, H.F.; MARTÍN, F.

Probing reaction dynamics at metal surfaces with H2 diffraction.

JOURNAL OF PHYSICS CONDENSED MATTER; Año: 2007 vol. 19 p. 305003 - 305320

MARTÍNEZ, A.E.; DONG, W.; BUSNENGO, H.F.

Comparative study of H2 adsorption on W(100)-c(2x2)Cu and W(100): surface alloying effects.

APPLIED SURFACE SCIENCE; Año: 2007 vol. 254 p. 82 - 86

ALDUCIN, M.; DÍEZ MUIÑO, R.; BUSNENGO, H.F.; SALIN, A

Dissociative adsorption of N2 on W(110) : theoretical study of the dependence on the incidence angle.

SURFACE SCIENCE; Año: 2007 vol. 601 p. 3726 - 3730

M. ALDUCIN, R. DÍEZ MUIÑO, H.F. BUSNENGO Y A. SALIN

Why N2 molecules with thermal energy abundantly dissociate on W(100) and not on W(110)

PHYSICAL REVIEW LETTERS; Año: 2006 vol. 97 p. 56102 - 56105

D. BARREDO, G. LAURENT, C. DÍAZ, P. NIETO, H.F. BUSNENGO, A. SALIN, D. FARÍAS Y F. MARTÍN

Experimental evidence of dynamic trapping in the scattering of H2 from Pd(110).

JOURNAL OF CHEMICAL PHYSICS; Año: 2006 vol. 125 p. 51101 - 51104

M. ALDUCIN, R. DÍEZ MUIÑO, H.F. BUSNENGO, Y A. SALIN

Low sticking probability in the nonactivated dissociation of N2 molecules on W(110).

JOURNAL OF CHEMICAL PHYSICS; Año: 2006 vol. 125 p. 144705 - 144714

D. FARÍAS, C. DÍAZ, P. RIVIÈRE, H.F. BUSNENGO, P. NIETO, M. F. SOMERS, G. J. KROES, A. SALIN Y F. MARTÍN

A classical dynamics method for H2 diffraction from metal surfaces

JOURNAL OF CHEMICAL PHYSICS; Año: 2005 vol. 122 p. 154706 - 154713

N. PINEAU, H.F. BUSNENGO, J.C. RAYEZ Y A. SALIN

Relaxation of hot atoms following H2 dissociation on a Pd(111) surface

JOURNAL OF CHEMICAL PHYSICS; Año: 2005 vol. 122 p. 214705 - 214713

C. DÍAZ, M.F. SOMERS, G.J. KROES, H.F. BUSNENGO, A. SALIN Y F. MARTÍN

Quantum and classical dynamics of H2 scattering from Pd(111) at off-normal incidence

PHYSICAL REVIEW B - CONDENSED MATTER AND MATERIALS PHYSICS; Año: 2005 vol. 72 p. 35401 - 35410

P. RIVIÈRE, H.F. BUSNENGO Y F. MARTÍN

Adsorption and scattering of H2 and D2 by NiAl(110)

JOURNAL OF CHEMICAL PHYSICS; Año: 2005 vol. 123 p. 74705 - 74711

H.F. BUSNENGO, M. A. DI CÉSARE, W. DONG Y A. SALIN

Surface temperature effects in dynamic trapping mediated adsorption of light molecules on metal surfaces: H2 on Pd(111) and Pd(110).

PHYSICAL REVIEW B - CONDENSED MATTER AND MATERIALS PHYSICS; Año: 2005 vol. 72 p. 125411 - 125419

VAN WILLIGEN, R.T.; SOMERS, M.F.; BUSNENGO, H.F.; KROES, G.J.

The dependence of dissociative chemisorption of H2 on Pd(1 1 1) on H2 rotation: a six-dimensional quantum dynamics study

CHEMICAL PHYSICS LETTERS; Año: 2004 vol. 393 p. 166 - 172

DÍAZ, C.; MARÍN, F.; BUSNENGO, H.F.; SALIN, A.

Theoretical analysis of the relation between H2 dissociation and reflection on Pd surfaces.

JOURNAL OF CHEMICAL PHYSICS; Año: 2004 vol. 120 p. 321 - 328

SOMERS, M.F.; OLSEN, R.A.; BUSNENGO, H.F.; BAERENDS, E.J.; KROES, G.J.

Reactive scattering of H2 from Cu(100): Six-dimensional quantum dynamics results for reaction and scattering obtained with a new, accurately fitted potential-energy surface

JOURNAL OF CHEMICAL PHYSICS; Año: 2004 vol. 121 p. 11379 - 11387

RIVIÈRE, P.; BUSNENGO, H.F.; MARTÍN, F.

Density functional theory study of H and H2 interacting with NiAl(110)

JOURNAL OF CHEMICAL PHYSICS; Año: 2004 vol. 121 p. 751 - 760

BUSNENGO, H.F.; DONG, W.; SALIN, A.

Trapping, Molecular Adsorption, and Precursors for Nonactivated Chemisorption

PHYSICAL REVIEW LETTERS; Año: 2004 vol. 93 p. 236103 - 236106

FARÍAS, D.; DÍAZ, C.; RIVIÈRE, P.; BUSNENGO, H.F.; NIETO, P.; SOMERS, M.F.; KROES, G.J.; SALIN, A.; MARTÍN, F.

In-Plane and Out-of-Plane Diffraction of H2 from Metal Surfaces

PHYSICAL REVIEW LETTERS; Año: 2004 vol. 93 p. 246104 - 246107

DÍAZ, C.; BUSNENGO, H.F.; MARTÍN, F.; SALIN, A.

Angular distribution of H2 molecules scattered from the Pd(111) surface

JOURNAL OF CHEMICAL PHYSICS; Año: 2003 vol. 118 p. 2886 - 2892

DI CÉSARE, M.A.; BUSNENGO, H.F.; DONG, W.; SALIN, A.

Role of dynamic trapping in H2 dissociation and reflection on Pd surfaces

JOURNAL OF CHEMICAL PHYSICS; Año: 2003 vol. 118 p. 11226 - 11234

BUSNENGO, H.F.; PIJPER, E.; KROES, G.J.; SALIN, A.

Rotational effects in dissociation of H2 on Pd(111): Quantum and classical study

JOURNAL OF CHEMICAL PHYSICS; Año: 2003 vol. 119 p. 12553 - 12562

VOLPILHAC, G; BUSNENGO, H.F.; DONG, W.; SALIN, A.

Scattering of atomic nitrogen on W(1 0 0)

SURFACE SCIENCE; Año: 2003 vol. 544 p. 329 - 338

NIKITIN, I.; DONG, W.; BUSNENGO, H.F.; SALIN, A.

Diffusion of a hydrogen atom on the Pd(111) surface: quantum transition state wave packet approach

SURFACE SCIENCE; Año: 2003 vol. 547 p. 149 - 156

BUSNENGO, H.F.; PIJPER, E.; SOMERS, M.F.; KROES, G.J.; SALIN, A.; OLSEN, R.A.; LEMOINE, D.; DONG, W.

Six-dimensional quantum and classical dynamics study of H2(v=0; J=0) scattering from Pd(111)

CHEMICAL PHYSICS LETTERS; Año: 2002 vol. 356 p. 515 - 522

OLSEN, R.A.; BUSNENGO, H.F.; SALIN, A.; SOMERS, M.F.; KROES, G.J.; BAERENDS, E.J.

Constructing accurate potential energy surfaces for a diatomic molecule interacting with a solid surface: H2/Pt(111) and H2/Cu(100)

JOURNAL OF CHEMICAL PHYSICS; Año: 2002 vol. 116 p. 3841 - 3855

BUSNENGO, H.F.; CRESPOS, C.; DONG, W.; RAYEZ, J.C.; SALIN, A.

Classical dynamics of dissociative adsorption for a nonactivated system: The role of zero point energy

JOURNAL OF CHEMICAL PHYSICS; Año: 2002 vol. 116 p. 9005 - 9013

PIJPER, E.; SOMERS, M.F.; KROES, G.J.; OLSEN, R.A.; BAERENDS, E.J.; BUSNENGO, H.F.; SALIN, A.; LEMOINE, D.

Six-dimensional quantum dynamics of scattering of (v=0, j=0) H2 from Pt(111): comparison to experiment and to classical dynamics results

CHEMICAL PHYSICS LETTERS; Año: 2001 vol. 347 p. 277 - 284

CRESPOS, C.; BUSNENGO, H.F.; DONG, W.; SALIN, A.

Analysis of H2 dissociation dynamics on the Pd(111) surface

JOURNAL OF CHEMICAL PHYSICS; Año: 2001 vol. 114 p. 10954 - 10962

BUSNENGO, H.F.; CRESPOS, C.; DONG, W.; SALIN, A.; RAYEZ, J.C.

Role of orientational forces in nonactivated molecular dissociation on a metal surface

PHYSICAL REVIEW B - CONDENSED MATTER AND MATERIALS PHYSICS; Año: 2001 vol. 63 p. 41402 - 41405

BUSNENGO, H.F.; DONG, W.; SAUTET, PH.; SALIN, A.

Surface Temperature Dependence of Rotational Excitation of H2 Scattered from Pd(111)

PHYSICAL REVIEW LETTERS; Año: 2001 vol. 87 p. 127601 - 127604

BUSNENGO, H.F.; DONG, W.; SALIN, A.

Six-dimensional classical dynamics of H 2 dissociative adsorption on Pd(111)

CHEMICAL PHYSICS LETTERS; Año: 2000 vol. 320 p. 328 - 334

BUSNENGO, H.F.; SALIN, A.; DONG, W.

Representation of the 6D potential energy surface for a diatomic molecule near a solid surface

JOURNAL OF CHEMICAL PHYSICS; Año: 2000 vol. 112 p. 7641 - 7651