Self-Consistent-Field Study of the Series XeFn, n = 2, 4, 6

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

1955 • 10,259 citations

ESCA applied to free molecules

1969 • 2,132 citations

Self-Consistent Field Theory for Open Shells of Electronic Systems

1960 • 1,927 citations

Conservation of orbital symmetry

1968 • 974 citations

Electronic Energies and Electronic Structures of the Fluoromethanes

1970 • 405 citations

One-Electron Properties of Near-Hartree–Fock Wavefunctions. I. Water

1968 • 291 citations

Optical and Photoelectron Spectra of Small Rings. III. The Saturated Three-Membered Rings

1969 • 246 citations

An interpretation of potential interaction constants in terms of low-lying excited states

1960 • 243 citations

Analytic Self-Consistent Field Wavefunctions and Computed Properties for Homonuclear Diatomic Molecules

1964 • 226 citations

Molecular geometry: Bonded versus nonbonded interactions

1968 • 210 citations

Sigma molecular orbital theory

1970 • 198 citations

Electronic States of the Amide Group

1967 • 196 citations

Noble Gas Compounds

1963 • 173 citations

Modern quantum chemistry : Istanbul lectures

1965 • 158 citations

One-Electron Properties of Near-Hartree–Fock Wavefunctions. II. HCHO, CO

1969 • 157 citations

The Chemistry of Xenon

1965 • 125 citations

Molecular Structure of XeF6. II. Internal Motion and Mean Geometry Deduced by Electron Diffraction

1968 • 118 citations

Ab initio MO SCF calculations of ESCA shifts in sulphur-containing molecules

1970 • 114 citations

On the interpretation of k-shell electron binding energy chemical shifts in molecules

1970 • 110 citations

Correlation effects in the calculation of ordinary and rotatory intensities

1967 • 100 citations

Heats of reaction from self-consistent-field energies of closed-shell molecules

1969 • 97 citations

ESCA: chemical shifts of K-shell electron binding energies for first-row atoms in molecules

1969 • 72 citations

Comparison of Core-Level Binding Energy Shifts in Molecules with Predictions Based on Koopmans' Theorem

1970 • 66 citations

Gaussian-Orbital Basis Sets for the First-Row Transition-Metal Atoms

1969 • 59 citations

Symmetry rules for predicting the course of chemical reactions

1970 • 58 citations

Electron Spin Resonance Spectrum of XeF in γ-Irradiated Xenon Tetrafluoride

1963 • 56 citations

Self-Consistent-Field Study of the Cluster Model in Ionic Salts. I. NiF64−

1970 • 54 citations

Gas-Phase Structure of XeF2

1969 • 48 citations

Symmetry Rule for Predicting the Structures of Molecules. II. Structure of X2Yn Molecules

1970 • 47 citations

High-Resolution He <scp>i</scp> and He <scp>ii</scp> Photoelectron Spectra of Xenon Difluoride

1970 • 47 citations

Electronic energy levels in hexahalotellurate(IV) complexes

1970 • 40 citations

Calculation of Chemical Shifts. II. The Xenon Fluorides

1964 • 32 citations

Studies of Xenon Chlorides and Other Xenon Compounds by the Mössbauer Effect in 129Xe

1968 • 32 citations

Configuration interaction intensity borrowing in photoelectron spectroscopy

1970 • 23 citations

Chemical Shifts in Xenon Fluorides

1963 • 20 citations

Electronic Structure of Xenon Difluoride

1964 • 19 citations

A Far-Ultraviolet Spectroscopic Study of Xenon Tetrafluoride

1963 • 19 citations

Forbidden Electronic Transitions in XeF2 and XeF4

1964 • 19 citations

Geometry and electronic states of CuF2

1969 • 18 citations

The photo-electron spectrum of XeF2

1970 • 14 citations

Molecular orbital description of TcH92-

1969 • 11 citations

Reduced basis set expansions for the silver ion orbitals

1968 • 10 citations

Bonding Wavefunctions in the Xenon Fluorides

1963 • 10 citations

Semi-empirical molecular orbital energy levels of XeF₄

1966 • 5 citations