Quantum and classical dynamics of reactive scattering of H2 from metal surfaces

Ab initio molecular dynamics simulations of the O 2 /Pt(1 1 1) interaction

(2016) Axel Groß   CATALYSIS TODAY

Adsorption at Nanostructured Surfaces from First Principles

(2016) Axel Groß   Journal of Computational and Theoretical Nanoscience

Significant Quantum Effects in Hydrogen Activation

(2014) Georgios Kyriakou et al.   ACS Nano

Modeling Heat Dissipation at the Nanoscale: An Embedding Approach for Chemical Reaction Dynamics on Metal Surfaces

(2014) Jörg Meyer et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Quantum Monte Carlo for activated reactions at solid surfaces: Time well spent on stretched bonds

(2014) Philip E. Hoggan et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Towards a specific reaction parameter density functional for reactive scattering of H2 from Pd(111)

(2014) J. M. Boereboom et al.   JOURNAL OF CHEMICAL PHYSICS

Validity of the site-averaging approximation for modeling the dissociative chemisorption of H2 on Cu(111) surface: A quantum dynamics study on two potential energy surfaces

(2014) Tianhui Liu et al.   JOURNAL OF CHEMICAL PHYSICS

The effect of the exchange-correlation functional on H2 dissociation on Ru(0001)

(2014) M. Wijzenbroek et al.   JOURNAL OF CHEMICAL PHYSICS

Ab initio molecular dynamics calculations on scattering of hyperthermal H atoms from Cu(111) and Au(111)

(2014) Geert-Jan Kroes et al.   JOURNAL OF CHEMICAL PHYSICS

Dissociation and recombination of D2 on Cu(111): Ab initio molecular dynamics calculations and improved analysis of desorption experiments

(2014) Francesco Nattino et al.   JOURNAL OF CHEMICAL PHYSICS

Permutation invariant polynomial neural network approach to fitting potential energy surfaces. III. Molecule-surface interactions

(2014) Bin Jiang et al.   JOURNAL OF CHEMICAL PHYSICS

Perspective: Fifty years of density-functional theory in chemical physics

(2014) Axel D. Becke   JOURNAL OF CHEMICAL PHYSICS

Importance of a Nonlocal Description of Electron–Electron Interactions in Modeling the Dissociative Adsorption of H2 on Cu(100)

(2014) Florian Göltl et al.   Journal of Physical Chemistry C

Quest for a universal density functional: the accuracy of density functionals across a broad spectrum of databases in chemistry and physics

(2014) R. Peverati et al.   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Dissociation rates of H2on a Ni(100) surface: the role of the physisorbed state

(2014) Wenji Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Six-dimensional quantum dynamics for dissociative chemisorption of H2 and D2 on Ag(111) on a permutation invariant potential energy surface

(2014) Bin Jiang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Combined experimental and theoretical study of fast atom diffraction on theβ2(2×4)reconstructed GaAs(001) surface

(2014) M. Debiossac et al.   PHYSICAL REVIEW B

Towards Bond Selective Chemistry from First Principles: Methane on Metal Surfaces

(2014) X. J. Shen et al.   PHYSICAL REVIEW LETTERS

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

(2014) M. Blanco-Rey et al.   PHYSICAL REVIEW LETTERS

Assessing the reliability of calculated catalytic ammonia synthesis rates

(2014) A. J. Medford et al.   SCIENCE

Kinetic Evidence for a Non-Langmuir-Hinshelwood Surface Reaction: H/D Exchange over Pd Nanoparticles and Pd(111)

(2013) Aditya Savara et al.   CHEMPHYSCHEM

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

(2013) L. Sementa et al.   JOURNAL OF CHEMICAL PHYSICS

Barrier Heights in Quantum Monte Carlo with Linear-Scaling Generalized-Valence-Bond Wave Functions

(2013) Francesco Fracchia et al.   Journal of Chemical Theory and Computation

Thermal Lattice Expansion Effect on Reactive Scattering of H2 from Cu(111) at Ts = 925 K

(2013) Arobendo Mondal et al.   JOURNAL OF PHYSICAL CHEMISTRY A

On the Role of Electronic Friction for Dissociative Adsorption and Scattering of Hydrogen Molecules at a Ru(0001) Surface

(2013) Gernot Füchsel et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Rice–Ramsperger–Kassel–Marcus Simulation of Hydrogen Dissociation on Cu(111): Addressing Dynamical Biases, Surface Temperature, and Tunneling

(2013) Scott B. Donald et al.   Journal of Physical Chemistry C

Surface Temperature Effects on Dissociative Chemisorption of H2 on Cu(100)

(2013) Ali Marashdeh et al.   Journal of Physical Chemistry C

Catalytic Activity of Single Transition-Metal Atom Doped in Cu(111) Surface for Heterogeneous Hydrogenation

(2013) Qiang Fu et al.   Journal of Physical Chemistry C

Separating Catalytic Activity at Edges and Terraces on Platinum: Hydrogen Dissociation

(2013) I. M. N. Groot et al.   Journal of Physical Chemistry C

Effect of Lattice Motion on Dissociation and Recombination Rates of H2 on Ni(100) Surface

(2013) Wenji Wang et al.   Journal of Physical Chemistry C

Electronically Nonadiabatic Processes in the Interaction of H with a Au Surface Revealed Using MIM Junctions: The Temperature Dependence

(2013) Beate Schindler et al.   Journal of Physical Chemistry C

Adiabatic Energy Loss in Hyperthermal H Atom Collisions with Cu and Au: A Basis for Testing the Importance of Nonadiabatic Energy Loss

(2013) Michele Pavanello et al.   Journal of Physical Chemistry Letters

Chemical Kinetics and Mechanisms of Complex Systems: A Perspective on Recent Theoretical Advances

(2013) Stephen J. Klippenstein et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Surface Structure of Alanine on Cu(110) Studied by Fast Atom Diffraction

(2013) J. Seifert et al.   PHYSICAL REVIEW LETTERS

Initial Sticking Coefficient of H2 on the Pd–Cu(111) Surface Alloy at very Low Coverages

(2013) Daniel Farías et al.   ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS

Effects of vacancy and step on dissociative dynamics of H2 on Pd (111) surfaces

(2012) X. Huang et al.   CHEMICAL PHYSICS LETTERS

Quantum Monte Carlo simulation of carbon monoxide reactivity when adsorbed at metal and oxide catalyst surfaces: Trial wave-functions with exponential type basis and quasi-exact three-body correlation

(2012) Philip E. Hoggan   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Surface temperature effect on the scattering of D2(v = 0, j = 0)-Cu(111) system

(2012) Tapas Sahoo et al.   JOURNAL OF CHEMICAL PHYSICS

Static surface temperature effects on the dissociation of H2 and D2 on Cu(111)

(2012) M. Wijzenbroek et al.   JOURNAL OF CHEMICAL PHYSICS

Effects of classical nonlinear resonances in grazing diatom-surface collisions

(2012) Antonia Ruiz et al.   JOURNAL OF CHEMICAL PHYSICS

Enhanced selectivity towards O2 and H2 dissociation on ultrathin Cu films on Ru(0001)

(2012) M. Minniti et al.   JOURNAL OF CHEMICAL PHYSICS

Construction of high-dimensional neural network potentials using environment-dependent atom pairs

(2012) K. V. Jovan Jose et al.   JOURNAL OF CHEMICAL PHYSICS

Vibrational deexcitation and rotational excitation of H2 and D2 scattered from Cu(111): Adiabatic versus non-adiabatic dynamics

(2012) A. S. Muzas et al.   JOURNAL OF CHEMICAL PHYSICS

Modified Shepard interpolation of gas-surface potential energy surfaces with strict plane group symmetry and translational periodicity

(2012) Terry J. Frankcombe et al.   JOURNAL OF CHEMICAL PHYSICS

H2 Diffraction from a Strained Pseudomorphic Monolayer of Cu Deposited on Ru(0001)

(2012) C. Díaz et al.   Journal of Physical Chemistry C

Hot Electrons Do the Impossible: Plasmon-Induced Dissociation of H2 on Au

(2012) Shaunak Mukherjee et al.   NANO LETTERS

Dynamics of H2 dissociation on the 1/2 ML c(2 × 2)-Ti/Al(100) surface

(2012) Jian-Cheng Chen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

An improved and broadly accurate local approximation to the exchange–correlation density functional: The MN12-L functional for electronic structure calculations in chemistry and physics

(2012) Roberto Peverati et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Towards chemically accurate simulation of molecule–surface reactions

(2012) Geert-Jan Kroes   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Chebyshev high-dimensional model representation (Chebyshev-HDMR) potentials: application to reactive scattering of H2 from Pt(111) and Cu(111) surfaces

(2012) Phillip S. Thomas et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

High-dimensional neural network potentials for metal surfaces: A prototype study for copper

(2012) Nongnuch Artrith et al.   PHYSICAL REVIEW B

Effect of Surface Motion on the Rotational Quadrupole Alignment Parameter ofD2Reacting on Cu(111)

(2012) Francesco Nattino et al.   PHYSICAL REVIEW LETTERS

Isolated Metal Atom Geometries as a Strategy for Selective Heterogeneous Hydrogenations

(2012) Georgios Kyriakou et al.   SCIENCE

Ab initio molecular dynamics study of H2 adsorption on sulfur- and chlorine-covered Pd(100)

(2012) Axel Groß   SURFACE SCIENCE

The Energy Dependence of the Ratio of Step and Terrace Reactivity for H2 Dissociation on Stepped Platinum

(2011) Irene M. N. Groot et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Quantum Monte Carlo and Related Approaches

(2011) Brian M. Austin et al.   CHEMICAL REVIEWS

The dynamic effects on dissociation probability of H2–Pt(111) system by embedded atom method

(2011) Takashi Tokumasu et al.   JOURNAL OF APPLIED PHYSICS

Molecular dynamics study of the effects of translational energy and incident angle on dissociation probability of hydrogen/deuterium molecules on Pt(111)

(2011) Tetsuya Koido et al.   JOURNAL OF APPLIED PHYSICS

The dissociative adsorption of hydrogen on Pt(111): Actuation and acceleration by atomic defects

(2011) Bene Poelsema et al.   JOURNAL OF CHEMICAL PHYSICS

Six-dimensional quasiclassical and quantum dynamics of H2 dissociation on the c(2 × 2)-Ti/Al(100) surface

(2011) Jian-Cheng Chen et al.   JOURNAL OF CHEMICAL PHYSICS

Electronic excitations induced by hydrogen surface chemical reactions on gold

(2011) Beate Schindler et al.   JOURNAL OF CHEMICAL PHYSICS

Coverage effects in the adsorption of H2 on Pd(100) studied by ab initio molecular dynamics simulations

(2011) Axel Groß   JOURNAL OF CHEMICAL PHYSICS

Quantum mechanical embedding theory based on a unique embedding potential

(2011) Chen Huang et al.   JOURNAL OF CHEMICAL PHYSICS

Atom-centered symmetry functions for constructing high-dimensional neural network potentials

(2011) Jörg Behler   JOURNAL OF CHEMICAL PHYSICS

Effect of Surface Modes on the Six-Dimensional Molecule–Surface Scattering Dynamics of H2–Cu(100) and D2–Cu(111) Systems

(2011) Tapas Sahoo et al.   JOURNAL OF PHYSICAL CHEMISTRY A

In-Plane and Out-of-Plane Diffraction of H2from Ru(001)

(2011) Pablo Nieto et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Reactivity of Transition Metals (Pd, Pt, Cu, Ag, Au) toward Molecular Hydrogen Dissociation: Extended Surfaces versus Particles Supported on TiC(001) or Small Is Not Always Better and Large Is Not Always Bad

(2011) Tatiana Gomez et al.   Journal of Physical Chemistry C

The effect of phonon modes on the D2(v=0,j=0)–Cu(111) scattering processes

(2011) Tapas Sahoo et al.   PHYSICA SCRIPTA

The effect of phonon modes on the H2(v, j)/D2(v, j)–Cu(1nn) scattering processes

(2011) Tapas Sahoo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

(2011) M. N. Batista et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Diffractive and reactive scattering of H2 from Ru(0001): experimental and theoretical study

(2011) P. Nieto et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Universal transition state scaling relations for (de)hydrogenation over transition metals

(2011) S. Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Hydrogen dissociation on Cu(111): the influence of lattice motion. Part I

(2011) Matteo Bonfanti et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Dissipative dynamics within the electronic friction approach: the femtosecond laser desorption of H2/D2 from Ru(0001)

(2011) Gernot Füchsel et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

H2dissociation on individual Pd atoms deposited on Cu(111)

(2011) M. Ramos et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Molecular dynamics simulation of a complex surface reaction: The effect of coverage onH2dissociation on Pd(111)

(2011) Y. Xiao et al.   PHYSICAL REVIEW B

Construction of an optimal GGA functional for molecules and solids

(2011) Philipp Haas et al.   PHYSICAL REVIEW B

Improved lattice constants, surface energies, and CO desorption energies from a semilocal density functional

(2011) Jianwei Sun et al.   PHYSICAL REVIEW B

Evaluation of a density functional with account of van der Waals forces using experimental data of H2physisorption on Cu(111)

(2011) Kyuho Lee et al.   PHYSICAL REVIEW B

Simulation of surface processes

(2011) H. Jonsson   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Density functional theory in surface chemistry and catalysis

(2011) J. K. Norskov et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Diffraction of molecular hydrogen from metal surfaces

(2011) Daniel Farías et al.   PROGRESS IN SURFACE SCIENCE

Fast atom diffraction during grazing scattering from surfaces

(2011) H. Winter et al.   PROGRESS IN SURFACE SCIENCE

Selective poisoning of active sites for D2 dissociation on platinum

(2010) Christine Hahn et al.   CATALYSIS TODAY

Ab Initio Molecular Dynamics Simulations of the Adsorption of H2 on Palladium Surfaces

(2010) Axel Groß   CHEMPHYSCHEM

A theoretical study of H2 dissociation on (3×3)R30°CO/Ru(0001)

(2010) I. M. N. Groot et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2010) Y. Xiao et al.   JOURNAL OF CHEMICAL PHYSICS

High-resolution elastic and rotationally inelastic diffraction of D2 from NiAl(110)

(2010) Daniel Barredo et al.   JOURNAL OF CHEMICAL PHYSICS

A transition state view on reactive scattering: Initial state-selected reaction probabilities for the H+CH4→H2+CH3 reaction studied in full dimensionality

(2010) Gerd Schiffel et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2010) C. Díaz et al.   Journal of Physical Chemistry C

The sticking of H2(v= 1,J= 1) on Cu(100) measured using laser-induced thermal desorption

(2010) Jonghyuk Kim et al.   MOLECULAR PHYSICS

Accurate surface and adsorption energies from many-body perturbation theory

(2010) L. Schimka et al.   NATURE MATERIALS

Experimental and theoretical study of rotationally inelastic diffraction of D2 from NiAl(110)

(2010) Guillaume Laurent et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Six-dimensional dynamics study of reactive and non reactive scattering of H2 from Cu(111) using a chemically accurate potential energy surface

(2010) C. Díaz et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Reactive scattering ofH2from metal surfaces under fast-grazing-incidence conditions

(2010) C. Díaz et al.   PHYSICAL REVIEW A

Rumpling of LiF(001) surface from fast atom diffraction

(2010) A. Schüller et al.   PHYSICAL REVIEW A

Molecular dynamics study ofH2dissociation on H-covered Pd(100)

(2010) A. Lozano et al.   PHYSICAL REVIEW B

Diffraction of fast atoms during grazing scattering from the surface of an ultrathin silica film on Mo(112)

(2010) J. Seifert et al.   PHYSICAL REVIEW B

Interaction potentials for fast atoms in front of Al surfaces probed by rainbow scattering

(2010) P. Tiwald et al.   PHYSICAL REVIEW B

Higher-accuracy van der Waals density functional

(2010) Kyuho Lee et al.   PHYSICAL REVIEW B

Nonmonotonic dissociative adsorption of vibrationally excitedH2on metal surfaces

(2010) G. Laurent et al.   PHYSICAL REVIEW B

Dissociation of PhysisorbedH2through Low-Energy Electron Scattering Resonances

(2010) S. Andersson et al.   PHYSICAL REVIEW LETTERS

Apparent failure of the Born-Oppenheimer static surface model for vibrational excitation of molecular hydrogen on copper

(2010) G.-J. Kroes et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Impact of surface chemistry

(2010) G. A. Somorjai et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Grazing incidence scattering of vibrationally excited H2 molecules from metal surfaces

(2010) D. Stradi et al.   SURFACE SCIENCE

The DBH24/08 Database and Its Use to Assess Electronic Structure Model Chemistries for Chemical Reaction Barrier Heights

(2009) Jingjing Zheng et al.   Journal of Chemical Theory and Computation

A Theoretical Study of H2 Reacting on Ti/Al(100) Surfaces

(2009) Jian-Cheng Chen et al.   Journal of Physical Chemistry C

Atomic-Scale Imaging and Electronic Structure Determination of Catalytic Sites on Pd/Cu Near Surface Alloys

(2009) Heather L. Tierney et al.   Journal of Physical Chemistry C

Femtosecond-Laser Desorption of H2 (D2) from Ru(0001): Quantum and Classical Approaches

(2009) Tijo Vazhappilly et al.   Journal of Physical Chemistry C

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

(2009) A. Lozano et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

(2009) G. Laurent et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Dynamics of dissociative adsorption of hydrogen on a CO-precovered Ru(0001) surface: a comparison of theoretical and experimental results

(2009) Irene M. N. Groot et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Methane Dissociation on Ni(111): A New Understanding of the Lattice Effect

(2009) Ashwani Kumar Tiwari et al.   PHYSICAL REVIEW LETTERS

Electron-Induced Desorption of PhysisorbedH2via Resonance Vibrational Excitation

(2009) S. Andersson et al.   PHYSICAL REVIEW LETTERS

Molecular Effects inH2Scattering from Metal Surfaces at Grazing Incidence

(2009) C. Díaz et al.   PHYSICAL REVIEW LETTERS

Fast Atom Diffraction from Superstructures on a Fe(110) Surface

(2009) A. Schüller et al.   PHYSICAL REVIEW LETTERS

Ab InitioMolecular Dynamics Study of Hot Atom Dynamics after Dissociative Adsorption ofH2on Pd(100)

(2009) Axel Groß   PHYSICAL REVIEW LETTERS

Hydrogen Dissociation and Spillover on Individual Isolated Palladium Atoms

(2009) Heather L. Tierney et al.   PHYSICAL REVIEW LETTERS

Workhorse Semilocal Density Functional for Condensed Matter Physics and Quantum Chemistry

(2009) John P. Perdew et al.   PHYSICAL REVIEW LETTERS

Comment on “Role of Electron-Hole Pair Excitations in the Dissociative Adsorption of Diatomic Molecules on Metal Surfaces”

(2009) A. C. Luntz et al.   PHYSICAL REVIEW LETTERS

Juaristiet al.Reply:

(2009) J. I. Juaristi et al.   PHYSICAL REVIEW LETTERS

Capturing the Complexities of Molecule-Surface Interactions

(2009) E. Hasselbrink   SCIENCE

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

(2009) C. Diaz et al.   SCIENCE

The dynamics of dissociative adsorption on metal surfaces: “First principles” theory – Experiment confrontations

(2009) A.C. Luntz   SURFACE SCIENCE

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

(2009) C.A. Ramírez et al.   SURFACE SCIENCE

Non-adiabaticity in surface chemical reactions

(2009) Eckart Hasselbrink   SURFACE SCIENCE

CO Blocking of D2Dissociative Adsorption on Ru(0001)

(2008) Hirokazu Ueta et al.   CHEMPHYSCHEM

First principles calculations and experimental insight into methane steam reforming over transition metal catalysts

(2008) G JONES et al.   JOURNAL OF CATALYSIS

Six-dimensional quantum dynamics of H2 dissociative adsorption on the Pt(211) stepped surface

(2008) R. A. Olsen et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular dynamics of hydrogen dissociation on an oxygen covered Pt(111) surface

(2008) Jeffery Ludwig et al.   JOURNAL OF CHEMICAL PHYSICS

Dynamics of hydrogen dissociation on stepped platinum

(2008) I. M. N. Groot et al.   JOURNAL OF CHEMICAL PHYSICS

The role of exchange-correlation functionals in the potential energy surface and dynamics of N2 dissociation on W surfaces

(2008) G. A. Bocan et al.   JOURNAL OF CHEMICAL PHYSICS

Exploring the Limit of Accuracy of the Global Hybrid Meta Density Functional for Main-Group Thermochemistry, Kinetics, and Noncovalent Interactions

(2008) Yan Zhao et al.   Journal of Chemical Theory and Computation

H2 Chemisorption on W(100) and W(110) Surfaces

(2008) H. Fabio Busnengo et al.   Journal of Physical Chemistry C

The shortcomings of semi-local and hybrid functionals: what we can learn from surface science studies

(2008) A Stroppa et al.   NEW JOURNAL OF PHYSICS

Hydrogen dissociation on Mg(0001) studied via quantum Monte Carlo calculations

(2008) M. Pozzo et al.   PHYSICAL REVIEW B

H2reactivity on strained pseudomorphic monolayers of Cu and Pd on Ru(0001)

(2008) G. Laurent et al.   PHYSICAL REVIEW B

Grazing Incidence Diffraction of keV Helium Atoms on a Ag(110) Surface

(2008) N. Bundaleski et al.   PHYSICAL REVIEW LETTERS

Role of Electron-Hole Pair Excitations in the Dissociative Adsorption of Diatomic Molecules on Metal Surfaces

(2008) J. I. Juaristi et al.   PHYSICAL REVIEW LETTERS

Frontiers in Surface Scattering Simulations

(2008) G.-J. Kroes   SCIENCE

Fast atom diffraction at metal surface

(2008) M. Busch et al.   SURFACE SCIENCE