Ab initio potential surface for ozone decomposition

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

Gaussian-Type Functions for Polyatomic Systems. II

1969 • 3,222 citations

Individualized configuration selection in CI calculations with subsequent energy extrapolation

1974 • 1,246 citations

Applicability of the multi-reference double-excitation CI (MRD-CI) method to the calculation of electronic wavefunctions and comparison with related techniques

1978 • 1,007 citations

Energy extrapolation in CI calculations

1975 • 1,001 citations

Individualized configuration selection in CI calculations with subsequent energy extrapolation

1974 • 831 citations

New alternative to the Dunham potential for diatomic molecules

1973 • 497 citations

A b i n i t i o configuration interaction study of the valence states of O2

1977 • 273 citations

Mechanism of the Gas Phase, Thermal Decomposition of Ozone

1957 • 252 citations

Configuration interaction studies of O3 and O+3. Ground and excited states

1975 • 220 citations

Improved potential functions for bent AB2 molecules: Water and ozone

1976 • 181 citations

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

1971 • 130 citations

Ab initio study of the mixing of valence and Rydberg states in O2: CI potential curves for the3Σu−,3Δu and3Πu states

1975 • 113 citations

AB initio vibrational analysis of the Schumann—Runge bands and the neighboring absorption region of molecular oxygen

1976 • 109 citations

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

1956 • 92 citations

Configuration interaction calculations for the ground and excited states of ozone and its positive ion: Energy locations and transition probabilities

1978 • 91 citations

Exact quantum transition probabilities by the state path sum method: Collinear F + H₂reaction

1975 • 88 citations

Analytical potentials for triatomic molecules from spectroscopic data

1976 • 84 citations

Theoretical investigation of the cyclic conformer of ozone

1974 • 76 citations

A semi-numerical approach to the construction and fitting of triatomic potential energy surfaces

1975 • 64 citations

Theoretical Evidence for a Stable form of Cyclic Ozone, and its Chemical Consequences

1973 • 56 citations

Energy separation between the open (C2v) and closed (D3h) forms of ozone

1977 • 48 citations

Rotated Morse curve–spline potential function for A+BC reaction dynamics: Application to (Cl, HBr), (F,H2), and (H+,H2)

1978 • 42 citations

MNDO study of ozone and its decomposition into (O2 + 0)

1977 • 29 citations

An analytical function for the potential energy surface of ozone

1977 • 25 citations

Classical trajectories for the H+H2 reaction on a spline-generated potential energy surface

1977 • 24 citations

A spline-fitted potential surface for bent triatomic molecules

1977 • 17 citations