Ab initio studies of interoxygen bonding in O2, HO2, H2O2, O3, HO3, and H2O3

The Nature of the Chemical Bond

1939 • 13,296 citations

Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules

1971 • 9,621 citations

New Developments in Molecular Orbital Theory

1951 • 5,347 citations

Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms

1970 • 4,990 citations

Infrared spectra of inorganic and coordination compounds

1963 • 4,783 citations

Self-Consistent Field Theory for Open Shells of Electronic Systems

1960 • 1,927 citations

Self-Consistent Orbitals for Radicals

1954 • 1,548 citations

Approximate Self-Consistent Molecular-Orbital Theory. V. Intermediate Neglect of Differential Overlap

1967 • 1,483 citations

Gas Phase Reaction Rate Theory

1966 • 1,119 citations

Normal Atmosphere: Large Radical and Formaldehyde Concentrations Predicted

1971 • 1,099 citations

Molecular orbital theory of the electronic structure of organic compounds. V. Molecular theory of bond separation

1970 • 877 citations

Acid dissociation constant and decay kinetics of the perhydroxyl radical

1970 • 496 citations

Gaussian Basis Functions for Use in Molecular Calculations. IV. The Representation of Polarization Functions for the First Row Atoms and Hydrogen

1971 • 356 citations

Molecular orbital theory of the electronic structure of organic compounds. VII. Systematic study of energies, conformations, and bond interactions

1971 • 312 citations

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

1968 • 291 citations

Studies of Hydrogen Peroxide: The Infrared Spectrum and the Internal Rotation Problem

1962 • 287 citations

Molecular orbital theory of the electronic structure of organic compounds. VI. Geometries and energies of small hydrocarbons

1971 • 253 citations

Self-Consistent Molecular Orbital Methods. V. Ab Initio Calculation of Equilibrium Geometries and Quadratic Force Constants

1970 • 218 citations

Infrared Spectroscopic Evidence for the Species HO2

1963 • 165 citations

Argon matrix Raman and infrared spectra and vibrational analysis of ozone and the oxygen-18 substituted ozone molecules

1972 • 150 citations

Ab Initio Potential Curve for the X 3Σg− State of O2

1971 • 130 citations

Ion—Molecule Reactions in an O2+–H2O System

1971 • 124 citations

THE FORMATION AND DECAY OF H₂O₃ AND HO₂ IN ELECTRON-IRRADIATED AQUEOUS SOLUTIONS¹

1963 • 124 citations

Calculation of Infrared Intensities by the CNDO Method

1967 • 121 citations

Theoretical studies of bicyclobutane

1972 • 106 citations

Microwave spectrum of oxygen difluoride in vibrationally excited states; ν1 - 2ν2 Fermi resonance and equilibrium structure

1966 • 104 citations

Structure of Ozone from the Microwave Spectrum between 9000 and 45 000 Mc

1956 • 92 citations

Spectrum and structure of the HO2 free radical

1972 • 76 citations

Ethylene Molecule in a Gaussian Basis. II. Contracted Bases

1967 • 67 citations

Stereospecificity in ozonide and cross-ozonide formation

1968 • 62 citations

Absorption spectra and kinetics of hydrogen sesquioxide and the perhydroxyl radical

1968 • 60 citations

The [p-π^*]σ and [s-π^*]σ Bonds. FNO and O₂F₂

1966 • 55 citations

Geometry and electronic structure of the hydroperoxyl radical

1971 • 54 citations

ESR Spectrum of FOO

1966 • 52 citations

Distortional effects on the internal rotation in hydrogen peroxyde

1969 • 48 citations

Nonempirical LCAO MO SCF and CI Studies of the Low Lying Electronic State of the HOO Radical

1972 • 47 citations

Studies on hydrogen–oxygen systems in the electrical discharge. IV. Spectroscopic identification of the matrix-stabilized intermediates, H₂O₃ and H₂O₄

1970 • 45 citations

Vibrational spectra and a force field for H₂S₃ and H₂S₄

1969 • 40 citations

Force constant displays of unsymmetric molecular isotopes of H2O, H2S, H2Se, and HCCH

1968 • 38 citations

An Electron Paramagnetic Resonance Study of Oxygen Fluorides. I. Dioxygen Difluoride and Trioxygen Difluoride

1965 • 37 citations

On the Thermochemistry of Alkyl Polyoxides and Their Radicals

1964 • 35 citations

ESR Spectrum of a Trioxide Radical

1968 • 32 citations

Studies on Hydrogen–Oxygen Systems in the Electrical Discharge. V. Raman Spectra of the Trapped Products

1971 • 32 citations

Vibrational Intensities in F2CO: Some Corrections

1971 • 32 citations

The infrared spectrum of bis(trifluoromethyl) trioxide

1969 • 25 citations

Hydrogen polyoxides. Ab initio molecular orbital study

1973 • 21 citations

Crystalline Di‐Tert‐Butyl Trioxide and Dicumyl Trioxide

1972 • 20 citations

Vibrational spectrum of bis(trifluoromethyl) trioxide

1973 • 20 citations

Theoroetical conformational analysis of saturated heterocycles with adjacent heteroatoms. Primary and final oxonides

1973 • 19 citations

THERMOCHEMISTRY OF THE HYDROGEN POLYOXIDES H₂O₃ and H₂O₄*†

1972 • 11 citations