Structures and electronic properties of copper clusters and bulk; comments on Mulliken–Walsh diagrams and on criticisms of the extended Hückel procedure

Roothaan-Hartree-Fock atomic wavefunctions

1974 • 5,462 citations

An Extended Hückel Theory. I. Hydrocarbons

1963 • 4,551 citations

Forces in Molecules

1939 • 3,570 citations

Structure of metallic catalysts

1978 • 957 citations

Theory of Polyhedral Molecules. I. Physical Factorizations of the Secular Equation

1962 • 938 citations

Einführung in die Quantenchemie

2015 • 548 citations

Approximate Radial Functions for First-Row Transition-Metal Atoms and Ions. I. Inner-Shell, 3d and 4s Atomic Orbitals

1962 • 492 citations

Boron Hydrides: LCAO—MO and Resonance Studies

1962 • 463 citations

Low energy electron diffraction studies of chemisorbed gases on stepped surfaces of platinum

1972 • 347 citations

Molecular-orbital studies of transition- and noble-metal clusters by the self-consistent-field-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>X</mml:mi><mml:mi>α</mml:mi></mml:math>scattered-wave method

1976 • 345 citations

Derivation of the extended Hückel method with corrections: One electron molecular orbital theory for energy level and structure determinations

1975 • 341 citations

Electron Binding Energies in Free Atoms*

1970 • 332 citations

Electronic Structures and Spectra of Triatomic Oxide Molecules

1942 • 224 citations

Approximate Radial Functions for First-Row Transition-Metal Atoms and Ions. II. 4p and 4d Atomic Orbitals

1963 • 217 citations

On the determination of the surface stress of copper and platinum

1972 • 202 citations

Influence of Metal Particle Size in Nickel-on-Aerosil Catalysts on Surface Site Distribution, Catalytic Activity, and Selectivity

1972 • 184 citations

The ultraviolet–visible spectra of diatomic, triatomic, and higher nickel clusters

1977 • 168 citations

Calculated Properties of Metal Aggregates. II. Silver and Palladium

1971 • 153 citations

Optical spectroscopy of copper clusters: Atom to bulk

1977 • 151 citations

An Electron Diffraction Study on the Crystal Structure of a New Modification of Chromium

1967 • 142 citations

Structures, binding energies, and charge distributions for two to six atom Ti, Cr, Fe, and Ni clusters and their relationship to nucleation and cluster catalysis

1976 • 127 citations

Electronic properties of metal clusters

1975 • 122 citations

Vibrational Force Constants from Electron Densities

1970 • 109 citations

Study of the N–Cu(100) system

1976 • 81 citations

Vibrational potentials and structures in molecular and solid carbon, silicon, germanium, and tin

1975 • 75 citations

Derivation of and comments on Bonaccorsi-Scrocco-Tomasi potentials for electrophilic additions

1974 • 72 citations

The structure and bonding of lithium clusters

1975 • 67 citations

Bond Angles in Water-Type and Ammonia-Type Molecules and Their Derivatives¹

1955 • 58 citations

Stability of ligand free tin clusters

1975 • 56 citations

The Correlation between Gaseous Atomic Spectra and the Absorption Spectra of Atoms Isolated in Noble-Gas Matrices

1972 • 52 citations

Theoretical study of structures and binding properties of nickel tetracarbonyl, iron pentacarbonyl, and diiron and dicobalt hexacarbonyl acetylenes

1976 • 45 citations

Theory of ultraviolet spectra for Ni2 and Ni3 and hypothesis for argon matrix frequency shifts for Ni atoms

1977 • 45 citations

Application of extended Hueckel theory to the calculation of the potential energy curve of diatomic copper

1968 • 24 citations

Molecular-orbital theory of bonding in FeO and chemisorbed oxygen on Fe(100)

1977 • 23 citations

Crystal structure of very small particles of chromium and iron

1973 • 20 citations

An unrestricted Hartree-Fock study of small lithium clusters

1976 • 18 citations

The Debye temperatures of the face centred cubic metals. I. X-ray and neutron diffraction results

1975 • 13 citations

Determination of chalcogen structures on nickel surfaces from orbital energies added to pairwise atomic repulsions

1977 • 13 citations

Molecular orbitals and bonding in Ar2, Kr2, ArKr, (Cl2)2, ArHCl, and solid chlorine

1976 • 10 citations

Valence-Force-Field Potentials for Diamondlike Crystals

1973 • 8 citations

Molecular orbital theory of bonding of nitrogen atoms to Cu(100)

1977 • 5 citations

Calculation of harmonic and cubic Einstein force constants in diamond-like crystals

1977 • 5 citations

Studies in the Single-Center Method

1971 • 4 citations