The dynamics of H2 dissociation on Cu and Ni surfaces. Mixed quantum-classical studies with all degrees of freedom

Solution of the Schrödinger equation by a spectral method

1982 • 3,172 citations

Time-dependent quantum-mechanical methods for molecular dynamics

1988 • 1,749 citations

An accurate and efficient scheme for propagating the time dependent Schrödinger equation

1984 • 1,430 citations

A fourier method solution for the time dependent Schrödinger equation as a tool in molecular dynamics

1983 • 1,302 citations

Solution of the Schrödinger equation by a spectral method II: Vibrational energy levels of triatomic molecules

1983 • 731 citations

Adsorption of hydrogen on nickel single crystal surfaces

1974 • 706 citations

Adsorption and desorption kinetics in the systems H2/Cu(111), H2/Cu(110) and H2/Cu(100)

1989 • 422 citations

Molecular beam study of the apparent activation barrier associated with adsorption and desorption of hydrogen on copper

1974 • 414 citations

Dynamics of the activated dissociative chemisorption of CH4 and implication for the pressure gap in catalysis: A molecular beam–high resolution electron energy loss study

1987 • 413 citations

Wave packet dynamics and chaos in the Hénon–Heiles system

1984 • 307 citations

A Fourier method solution for the time dependent Schrödinger equation: A study of the reaction H++H2, D++HD, and D++H2

1983 • 303 citations

Wide range nozzle beam adsorption data for the systems H2/nickel and H2/Pd(100)

1989 • 268 citations

The sticking of O2 on a Pt(111) surface

1988 • 262 citations

Activation of methane dissociation on a Pt(111) surface

1989 • 246 citations

Coupled translational-vibrational activation in dissociative hydrogen adsorption on Cu(110)

1989 • 246 citations

Role of vibrational and translational energy in the activated dissociative adsorption of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">D</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>on Cu(111)

1992 • 241 citations

A critical examination of data on the dissociative adsorption and associative desorption of hydrogen at copper surfaces

1991 • 235 citations

Chemisorption of Atomic Hydrogen on Large-Nickel-Cluster Surfaces

1979 • 224 citations

Dynamics of interaction of H2 and D2 with Ni(110) and Ni(111) surfaces

1985 • 200 citations

Molecular beam studies of H2 and D2 dissociative chemisorption on Pt(111)

1990 • 177 citations

The influence of potential energy surface topologies on the dissociation of H2

1990 • 176 citations

Effect of Translational Energy on the Chemisorption of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">N</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>on Fe(111): Activated Dissociation via a Precursor State

1987 • 169 citations

Dynamics of the activated dissociative chemisorption of N2 on W(110): A molecular beam study

1986 • 165 citations

Dynamics of the chemisorption of O2 on Pt(111): Dissociation via direct population of a molecularly chemisorbed precursor at high incidence kinetic energy

1991 • 165 citations

Adsorption kinetics for hydrogen adsorption on nickel and coadsorption of hydrogen and oxygen

1982 • 163 citations

A search for vibrational contributions to the activated adsorption of H2 on copper

1990 • 159 citations

On the role of vibrational energy in the activated dissociative chemisorption of methane on tungsten and rhodium

1986 • 149 citations

The dissociation of H2 on the Ni(100) surface

1984 • 146 citations

Vibrational excitations and structure of H2, D2 and HD absorbed on Ni(100)

1978 • 140 citations

Theoretical studies of the chemisorption of hydrogen on copper

1982 • 135 citations

A theoretical study of the dissociation of H2/Cu

1989 • 133 citations

LCAO studies of hydrogen chemisorption on nickel

1976 • 127 citations

The dynamics of H2 dissociation on Ni(100): A quantum mechanical study of a restricted two-dimensional model

1987 • 124 citations

Dynamics of the chemisorption of N2 on W(100): Precursor-mediated and activated dissociation

1990 • 118 citations

Hydrogen adsorption on Ni (100)

1973 • 114 citations

Effect of vibrational energy on the dissociative chemisorption of N2 on Fe(111)

1987 • 113 citations

Calculated Binding Properties of Hydrogen on Nickel Surfaces

1982 • 112 citations

Dynamics of the dissociative adsorption of hydrogen on nickel(100)

1985 • 112 citations

Effect of collision energy and incidence angle on the precursor-mediated dissociative chemisorption of N2 on W(100)

1988 • 110 citations

Effective medium potentials for molecule–surface interactions: H2 on Cu and Ni surfaces

1989 • 108 citations

Temperature dependency of the initial sticking probability of H2 and CO on Pt(111)

1985 • 106 citations

Precursors and trapping in the molecular chemisorption of CO on Ni(100)

1987 • 103 citations

The dissociative adsorption of H2 and D2 on Cu(110): activation barriers and dynamics

1991 • 101 citations

Dissociative chemisorption dynamics of H2 on Ni and Cu surfaces: Morphology and surface temperature effects

1986 • 101 citations

The dissociative adsorption of hydrogen: Two-, three-, and four-dimensional quantum simulations

1990 • 101 citations

Vibrational and translational energy partition and the barrier to dissociative H2 and D2 adsorption on Cu(110)

1991 • 99 citations

Atomic recombination dynamics on solid surfaces: Effect of various potentials

1977 • 97 citations

An investigation of vibrationally assisted adsorption: the cases H2/Cu(110) and H2/Al(110)

1991 • 95 citations

Adsorption-Site Location by Transmission Channeling: Deuterium on Ni(100)

1985 • 95 citations

Trapping-mediated dissociative chemisorption of ethane on Ir(110)-(1×2)

1990 • 91 citations

Kinetic energy and angular dependence of activated dissociative adsorption of N2 on W(110): Observed insensitivity to incidence angle

1984 • 90 citations

The sticking coefficient of H2 on Ni(111) as a function of particle energy and angle of incidence: A test of detailed balancing

1985 • 89 citations

Sticking coefficients of CO, O2 and Xe on the (110) and (100) planes of tungsten

1979 • 87 citations

Classical trajectory studies of hydrogen dissociation on a Cu(100) surface

1976 • 87 citations

Adsorption Site, Adsorption Energy, and Normal Vibration Frequency of H on Ni(100) via Total-Energy Calculations

1985 • 84 citations

Quantum-mechanical scattering of H2 from metal surfaces: Diffraction and dissociative adsorption

1988 • 84 citations

Adsorption probabilities of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">H</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">D</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>on various flat …

1985 • 83 citations

Classical trajectory study of the dissociation of hydrogen on copper single crystals

1977 • 80 citations

Role of Surface Temperature in the Precursor-Mediated Dissociative Chemisorption of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">N</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>on W(100)

1988 • 79 citations

The dissociative chemisorption dynamics of N2 on catalytic metal surfaces: A quantum-mechanical tunneling mechanism

1989 • 79 citations

Atomic recombination dynamics on a solid surface: H2+W(001)

1976 • 78 citations

The scattering of H2 and D2 from Cu(100): Vibrationally assisted dissociative adsorption

1989 • 76 citations

Dissociation dynamics of H2 on Ni(100), Ni(110), and Ni(111) surfaces

1986 • 74 citations

Mixed quantum-classical studies of H2 dissociation on metals: Dependence upon molecular geometry and dimensionality

1991 • 71 citations

LCAO studies of hydrogen chemisorption on nickel

1976 • 69 citations

The energy and angular dependence of dissociative hydrogen adsorption on Cu(110)

1989 • 65 citations

A quantum mechanical mechanism for the dissociative chemisorption of N2 on metal surfaces

1988 • 60 citations

Semiempirical theory of chemisorption on narrow d-band metals

1978 • 59 citations

Recombination dynamics of hydrogen on a tungsten surface

1975 • 56 citations

Vibrational motion of hydrogen atoms chemisorbed on Ni(100)

1986 • 55 citations

Molecular beam studies of the dynamics of activated adsorption of N2 on W(110): Dissociation threshold and new binding states

1984 • 54 citations

The variation of the sticking probability of hydrogen and deuterium on Ni(111) with energy and angle of incidence

1986 • 51 citations

Quantum and classical studies of the dissociation dynamics of H2 and its isotopes on Ni

1987 • 50 citations

Dissociative chemisorption of H2 on Ni surface: Time-dependent quantum dynamics calculation and comparison with experiment

1992 • 49 citations

Dissociative chemisorption of H2 on Ni surfaces: Dependence on incident angles and rovibrational states

1987 • 48 citations

Dynamical and nondynamical correlation effects in a b i n i t i o chemisorption cluster model calculations. Ground and low lying states of H on Cu(100) and Ag(100)

1988 • 44 citations

Angular and vibrational effects in the sticking and scattering of H2

1992 • 44 citations

Coexistence of precursor and direct dynamics: The sticking of O2 on a Pt(111) surface

1988 • 40 citations

Dynamics of dissociative chemisorption: N2/W(110)

1988 • 38 citations

Resonance-mediated dissociative adsorption of hydrogen

1990 • 38 citations

Dissociative chemisorption of N2 on rhenium: Dynamics at high impact energies

1990 • 37 citations

Coupling of vibrational and translational energy in the adsorption of H2 on Fe(100): state-resolved sticking coefficients

1992 • 36 citations

Vibrationally assisted sticking at metal surfaces

1988 • 36 citations

Dissociative chemisorption of H2 on Ni surfaces: Incident kinetic energy dependence and the characteristics of the potential energy surface

1987 • 35 citations

Rotational state distributions as a probe of dissociative adsorption

1990 • 30 citations

Potential energy surface morphology and the variation of dissociative chemisorption probabilities with kinetic energy and angle: N2/W(110)

1988 • 28 citations

On the concept and distribution of reactive sites in dissociative chemisorption

1990 • 27 citations

The mechanism of sticking trapping and direct dissociation of carbon monoxide on Cu(110)

1990 • 26 citations

The dynamics of precursor adsorption: ethane on Pt(111)

1990 • 26 citations

Oxygen scattering and initial chemisorption probability on Ge(100)

1991 • 24 citations

Extension of the Anderson-Newns model for hydrogen chemisorption on Ni(100), Ni(111) and W(110)

1986 • 23 citations

Nozzle beam experiments on the adsorption system hydrogen/iron

1991 • 23 citations

Dynamical study of the adsorption of hydrogen on the W(001) surface

1992 • 22 citations

Reactive (dissociative) diatom–solid surface collision: A quantum mechanical approach

1984 • 19 citations

Dissociative chemisorption in the N2/W(110) system: Rotational state and angular momentum polarization dependence

1988 • 18 citations

Contributions of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">H</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>(v=0) and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">H</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>(v=1) to…

1990 • 17 citations

A study of the parallel molecule–surface reaction HCl+surface→H⋅⋅⋅surface+Cl: A comparison between quantum mechanical and quasiclassical trajectory results

1985 • 13 citations

Direct and precursor dynamics in dissociative hydrogen chemisorption on Ni(100)

1989 • 13 citations

Quantum-mechanical study of the parallel molecule-surface reaction HCl + S → HS + Cl

1985 • 11 citations

A Monte Carlo quasi-classical trajectories study of the chemisorption of hydrogen on the W(001) surface

1992 • 11 citations

Hayden and Lamont reply

1990 • 3 citations