Theoretical studies of atmospheric molecules: SCF and correlated potential surface results for the X 2B1 and ? 2B2 states of H2O+

Ionization energies of water from PNO-CI calculations

2009 • 402 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

Variational calculation of vibration-rotation energy levels for triatomic molecules

1975 • 349 citations

Photoelectron spectra and valence shell orbital structures of groups V and VI hydrides

1972 • 336 citations

High resolution molecular photoelectron spectroscopy II. Water and deuterium oxide

1968 • 185 citations

Near Hartree-Fock Calculations on the Ground State of the Water Molecule: Energies, Ionization Potentials, Geometry, Force Constants, and One-Electron Properties

1972 • 145 citations

Isotopic and vibronic coupling effects in the valence electron spectra of H2 16O, H2 18O, and D2 16O

1975 • 141 citations

Spectrum of H2O+

1973 • 119 citations

Zero-Point Vibrational Corrections to One-Electron Properties of the Water Molecule in the Near-Hartree—Fock Limit

1971 • 109 citations

Variational calculation of low-lying and excited vibrational levels of the water molecule

1976 • 101 citations

Nuclear corrections to molecular properties. IV. Theory for low-lying vibrational states of polyatomic molecules with application to the water molecule near the Hartree-Fock limit

1974 • 95 citations

Theoretical Study of the F2 Molecule Using the Method of Optimized Valence Configurations

1972 • 74 citations

A limited basis molecular orbital calculation on H2O and H2O+

1975 • 69 citations

Excited states of gaseous ions. V. The predissociation of the h2o+ ion

1974 • 54 citations

Excited states of gaseous ions. IV. Potential energy surfaces of the H2O+ ion

1974 • 44 citations

Vibration-rotation analysis of some nonlinear molecules by a variational method

2009 • 25 citations