Analytical potentials for triatomic molecules from spectroscopic data

Molecular Spectra and Molecular Structure

1979 • 15,902 citations

The influence of polarization functions on molecular orbital hydrogenation energies

1973 • 14,592 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

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

Diatomic Molecules According to the Wave Mechanics. II. Vibrational Levels

1929 • 3,891 citations

Molecular Spectra and Molecular Structure

1929 • 1,910 citations

Energy extrapolation in CI calculations

1975 • 1,001 citations

Anharmonic force constant calculations

1972 • 942 citations

On the determination of molecular fields.—I. From the variation of the viscosity of a gas with temperature

1924 • 737 citations

Graphische Darstellung einiger bandenspektroskopischer Ergebnisse

1932 • 648 citations

One-Dimensional Model of the Hydrogen Bond

1955 • 626 citations

Virial Coefficients and Models of Molecules in Gases

1953 • 604 citations

Improved Theoretical Ground-State Energy of the Hydrogen Molecule

1968 • 587 citations

Radiofrequency and Microwave Spectrum of the Hydrogen Fluoride Dimer; a Nonrigid Molecule

1972 • 568 citations

A Method of Diatomics in Molecules. I. General Theory and Application to H₂O

1963 • 567 citations

Variational calculation of vibration-rotation energy levels for triatomic molecules

1975 • 349 citations

Analytical potentials for triatomic molecules from spectroscopic data

1975 • 331 citations

Internal-Rotation in Hydrogen Peroxide: The Far-Infrared Spectrum and the Determination of the Hindering Potential

1965 • 328 citations

New analytic form for the potential energy curves of stable diatomic states

1974 • 253 citations

Ab initio CI study of the stability and electronic spectrum of the HOCl molecule

1977 • 223 citations

Potential Energy Surface of the System of Three Atoms

1955 • 211 citations

Rates and mechanisms of chemical reactions

1969 • 172 citations

The bending-rotation Hamiltonian for the triatomic molecule and application to HCN and H2O

1972 • 161 citations

ABSORPTION SPECTRA OF THE HALOGEN MONOXIDES

1958 • 149 citations

Qualitative Aspects of Resonances in Electron—Atom and Electron—Molecule Scattering, Excitation, and Reactions

1966 • 142 citations

Low-lying electronic states of the rare gas oxides

1977 • 139 citations

Polarization CI wavefunctions: the valence states of the NH radical

1976 • 136 citations

Approximate Hartree-Fock Calculations for the Hydrogen Fluoride Molecule

1962 • 128 citations

Analytical potentials for triatomic molecules from spectroscopic data

1976 • 84 citations

Some Calculations on the Hydrogen Bond

1967 • 79 citations

The low-lying states of hydrogen fluoride: Potential energy curves for the x 1Σ+, 3Σ+, 3Π, and 1Π states

1976 • 78 citations

Millimeter-Wave Spectrum and Structure of Hypofluorous Acid: HOF and DOF

1972 • 76 citations

Ionization and dissociation energies of the hydrides and fluorides of the first row elements in relation to their electronic structures

1963 • 76 citations

Potential Function for the Stretching Region in Potassium Acid Fluoride

1964 • 71 citations

Two-Dimensional Double-Minimum Model of Hydrogen Bonding: The Symmetric Case

1968 • 64 citations

Oxygen Monofluoride (OF, 2π): Hartree–Fock Wavefunction, Binding Energy, Ionization Potential, Electron Affinity, Dipole and Quadrupole Moments, and Spectroscopic Constants. A Comparison of Theoretical and Experimental Results

1970 • 63 citations

Study of the Potential Surfaces of the Ground and First Excited Singlet States of H2O

1971 • 60 citations

Analytical potentials for triatomic molecules from spectroscopic data

1977 • 60 citations

Matrix infrared spectra of hypobromous acid and hypochlorous acid

1967 • 60 citations

Electronic Structure of HCl

1964 • 58 citations

79. Hydrogen bonding in gaseous mixtures. Part I. Infrared spectra of ether–hydrogen chloride systems

1965 • 55 citations

INFRARED SPECTROSCOPY AND HYDROGEN BONDING — BAND-WIDTHS AND FREQUENCY SHIFTS

1959 • 41 citations

Selection of terms for a CI wavefunction to preserve potential surface features

1977 • 41 citations

Hypofluorous acid: Infrared spectrum and vibrational potential function

1968 • 41 citations

Vibration-rotation wavefunctions and energies for the ground electronic state of the water molecule by a variational method

1974 • 38 citations

Gas-Phase Infrared Spectra of HOF and DOF

1972 • 35 citations

Analytical potentials for triatomic molecules from spectroscopic data

1978 • 32 citations

Vibration-rotation wavefunctions and energies for any molecule obtained by a variational method

1974 • 31 citations

Vibrational spectra of the hydrogen dihalide ions. IV. BrHBr- and BrDBr-

1967 • 28 citations

Microwave spectrum of the BrO radical equilibrium structure and dipole moment

1972 • 27 citations

Rydberg, ionic, and valence interactions in the excited states of F2

1976 • 25 citations

Vibrational Spectra of the Hydrogen Dihalide Ions. III. F¯HCl, F¯HBr, and F¯HI

1966 • 24 citations

On the infrared spectrum of HOCl

1971 • 23 citations

An ab initio calculation of the molecular structure and properties of hypofluorous acid

1973 • 19 citations

Photo-oxidation of Iodomethane in Solid Argon

1975 • 19 citations

Collisional quenching of O(1 D) by rare gas atoms

1978 • 19 citations

Reaction of O(21D2) with HCl

1976 • 15 citations

Vibrationally inelastic scattering in collinear systems: the effect of minima in the interaction potential

1977 • 1 citations