Molecular cluster calculations for the analysis of CO chemisorption on Ni, Pd, Pt and Ir surfaces

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I

1955 • 10,259 citations

Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms

1934 • 6,923 citations

Molecular Orbital View of Chemisorbed Carbon Monoxide

1964 • 1,942 citations

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. II. Overlap Populations, Bond Orders, and Covalent Bond Energies

1955 • 1,933 citations

Low-energy electron diffraction

1973 • 1,525 citations

Molecular Photoelectron Spectroscopy

1972 • 1,241 citations

Catalysis By Metals

1962 • 1,148 citations

The self-consistent field for molecules and solids

1974 • 1,056 citations

Infrared Spectra of Adsorbed Species

1966 • 1,035 citations

Infrared Spectra of Adsorbed Species

1967 • 968 citations

Molecular photoelectron spectroscopy

1972 • 716 citations

Final-state symmetry and polarization effects in angle-resolved photoemission spectroscopy

1977 • 544 citations

Calculations of molecular ionization energies using a self-consistent-charge Hartree–Fock–Slater method

1976 • 517 citations

Structural Influences on Adsorption Energy. II. CO on Ni(100)

1972 • 517 citations

Ultraviolet Photoionization Cross Sections for<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>and CO

1976 • 446 citations

Synchrotron radiation study of chemisorptive bonding of CO on transition metals — Polarization effect on Ir(100)

1976 • 422 citations

Chemisorption on metals

1978 • 401 citations

Heterogeneous catalysis: principles and applications

1975 • 340 citations

Heterogeneous Catalysis: Principles and Applications

1974 • 336 citations

Molecular Metal Clusters

1977 • 328 citations

Structure of CO Adsorbed on Cu(100) and Ni(100)

1979 • 316 citations

The orientation of CO adsorbed on Ni(100)

1977 • 294 citations

Vibrational excitations and structure of CO adsorbed on Ni(100)

1977 • 290 citations

Photoelectron spectra of transition-metal carbonyl complexes: comparison with the spectra of adsorbed CO

1978 • 284 citations

Theory of carbon monoxide chemisorption on transition metals

1974 • 273 citations

Relativistic molecular calculations in the Dirac–Slater model

1975 • 271 citations

Relativistic Calculations of Electron Binding Energies by a Modified Hartree-Fock-Slater Method

1968 • 211 citations

Adsorption sites of CO on Pt (111)

1977 • 205 citations

Theory of photoemission from localized adsorbate levels

1976 • 199 citations

Surface molecules and chemisorption. II. Photoemission angular distributions

1974 • 180 citations

Adsorbate Orientation Using Angel-Resolved Polarization-Dependent Photoemission

1976 • 177 citations

Interpretation of the photoelectron spectra of molecularly adsorbed CO

1975 • 157 citations

An UV photoemission study of NO and CO adsorption on Pt (100) and Ru (101̄0) surfaces

1975 • 156 citations

Density functional theory and molecular bonding. I. First-row diatomic molecules

1977 • 150 citations

Binding and energy-level shifts of carbon monoxide adsorbed on nickel: Model studies

1977 • 150 citations

Molecular orbital studies of dissociative chemisorption of first period diatomic molecules and ethylene on (100) W and Ni surfaces

1974 • 139 citations

Calculated photoionization cross sections and relative experimental photoionization intensities for a selection of small molecules

1974 • 133 citations

Determination of the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="normal">Ni</mml:mi><mml:mn /><mml:mo>{</mml:mo><mml:mn>001</mml:mn><mml:mo>}</mml:mo><mml:mi>c</mml:mi><mml:mo>(</mml:mo><mml:mn>2</mml:mn><mml:mn /><mml:mo>×</mml:mo><mml:mn>2</mml:mn><mml:mo>)</mml:mo></mml:math>-CO Structure by Low-Energy Electron Diffraction

1979 • 132 citations

CNDO model and interpretation of the photoelectron spectrum of CO chemisorbed on Ni

1974 • 126 citations

Electronic Structure and Reactivity of Metal Surfaces

1976 • 125 citations

Interpretation of the photoemission spectrum of chemisorbed carbon monoxide on Ni (100)

1975 • 125 citations

Angular resolved UV photoemission from ordered layers of carbon monoxide on a nickel(100) surface

1978 • 118 citations

Chemisorption of CO on the unreconstructed Pt(100) surface

1978 • 113 citations

Orientation of CO on Pt(111) and Ni(111) Surfaces from Angle-Resolved Photoemission

1976 • 111 citations

Structure of CO adsorbed on Ni (100)

1978 • 107 citations

Angle-resolved photoemission studies of the nickel (111) surface and its interaction with carbon monoxide

1976 • 105 citations

SCF-Xα-SW model calculations for metal clusters of nickel, copper, and silver and for the oxygen chemisorption on these metals

1976 • 104 citations

Photoelectron spectroscopic studies of the adsorption of CO and CO2 on nickel, platinum and copper

1976 • 103 citations

c(2 x 2)CO ON Ni(100): Photoemission orientation determination

1978 • 95 citations

A note on the hartree-fock-slater approximation

1965 • 94 citations

Photoemission spectra of adsorbed layers on Pd surfaces

1974 • 89 citations

Preparation and chemisorptive properties of the clean normal and reconstructed surfaces of Ir(100) — role of multiplets

1976 • 88 citations

A photoelectron spectroscopic study of the adsorption of CO and CO2 on platinum

1975 • 83 citations

Angle resolved photoemission from adsorbates: Theoretical considerations of polarization effects and symmetry

1977 • 74 citations

On the interpretation of the photoelectron spectrum of CO chemisorbed on Ni

1975 • 73 citations

Molecular cluster theory of CO chemisorption on a nickel(100) surface

1977 • 71 citations

Angle resolved photoemission from adsorbates: Theoretical considerations of polarization effects and symmetry

1978 • 68 citations

Electronic energy level structure calculations of chemisorbed CO on Ni (100)

1975 • 68 citations

Analysis of energy level shifts in the photoemission spectra of adsorbed molecules: CO on Ni

1976 • 64 citations

Molecular cluster calculations for the interpretation of CO chemisorption on a Ni(100) surface

1979 • 63 citations

Chemisorption of CO on Ir(100) studied by photoemission

1976 • 60 citations

Photoemission from Noble Metals and Adsorbates using Synchrotron Radiation

1977 • 54 citations

Angular resolved photoemission from palladium single crystals

1977 • 52 citations

Dynamical Calculations of Angle-Resolved Ultraviolet Photoemission from<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>c</mml:mi><mml:mo>(</mml:mo><mml:mn>2</mml:mn><mml:mn /><mml:mo>×</mml:mo><mml:mn>2</mml:mn><mml:mo>)</mml:mo></mml:math>O and S on Ni(001)

1977 • 48 citations

Determination of adsorbate bond geometry using photoemission

1978 • 47 citations

Homogeneous Catalysis (I): Transition Metal Clusters

1976 • 44 citations

Differential Relaxation Effects and Multielectron Excitation for Molecularly Chemisorbed CO on Platinum

1977 • 41 citations

Angular resolved studies of the photoemission bands from carbon monoxide adsorbed on palladium single crystals, and the assignment of these bands

1976 • 40 citations

X-ray and filtered UV photoelectron spectroscopic study of CO absorbed on Ni(100) and (111) surfaces

1976 • 37 citations

Ionization energies and optical spectra of 5d-metal hexafluorides as calculated in the Dirac-Slater model

1977 • 37 citations

Relativistic symmetry orbitals for the double groups C_2v, C_∞v, D_∞h, and O_h

1978 • 30 citations

Analysis of resonancelike peaks in angle-resolved ultraviolet photoemission spectroscopy from adsorbed atoms

1979 • 29 citations

Tight-binding theory of chemisorption: CO on Ni(100) and (111)

1977 • 24 citations

Ultraviolet Photoelectron Spectroscopy of CO Adsorbed on Palladium Surfaces

1974 • 23 citations

Adsorbate sensitivity enhancement in photoemission: CO on Pd

1978 • 23 citations

Bridge and on-top CO in chemisorption bond length and electronic structure

1977 • 22 citations

Molecular Cluster Study of the Approach of CO to a Ni (100) Surface

1974 • 19 citations

Experimental aspects of angle-resolved photoemission from clean and adsorbate-covered metal surfaces

1977 • 14 citations

Photoemission study of coverage-dependent chemisorption interaction between CO and Ir(111)

1977 • 13 citations

The catalytic activity of chemisorbed oxygen and carbon monoxide species on palladium and related metals investigated using SCF-Xα-SW calculations

1977 • 11 citations

Molecular levels for a CO molecule chemisorbed at various angles on a Ni(100) surface

1978 • 9 citations