Electronic structure of CaO. I

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 Basis Set for Molecular Wavefunctions Containing Third-Row Atoms

1970 • 3,336 citations

The identification of molecular spectra

1951 • 2,326 citations

Dissociation energies and spectra of diatomic molecules

1953 • 620 citations

Spectroscopic Data Relative to Diatomic Molecules

1970 • 394 citations

Computation of Molecular Properties and Structure

1968 • 232 citations

Assignment of the lowest 3Π and 1Π states of CaO, SrO, and BaO

1974 • 153 citations

Gas-phase reaction of Ba with N2O. I. Measurement of production efficiency of excited states

1974 • 115 citations

SCF Calculations of the Electronic States of Magnesium Monoxide

1972 • 77 citations

Electron Correlation in the Lowest Σ+1 State of Beryllium Oxide

1971 • 72 citations

Green and orange band spectra of CaOH, CaOD and calcium oxide

1955 • 63 citations

Low-Lying Energy Levels of Magnesium Oxide

1966 • 62 citations

Valence Excited States of BeO

1967 • 54 citations

Valence Levels of Beryllium Oxide

1966 • 53 citations

Computed Potential Curve and Spectroscopic Constants for Beryllium Oxide Ground State in Molecular Orbital Approximation

1964 • 51 citations

Role of Electron Correlation in a Priori Predictions of the Electronic Ground State of BeO

1972 • 47 citations

Computed Ground State properties of BeO, MgO, CaO and SrO in Molecular Orbital Approximation

1968 • 43 citations

Electronic Structure and Low-Lying Triplet States of CaO

1970 • 43 citations

Applicability of SCF Theory to Some Open-Shell States of CO, N2, and O2

1971 • 42 citations

The A′1Π-X1Σ system of CaO

1975 • 41 citations

Pressure dependence of the A(1Σ)→X(1Σ) photon yield in the reactions of Ba(g) with N2O and NO2

1974 • 39 citations

Repulsive 3∑− and low-lying (⩾ 1.9 eV) 3∑+ states of BeO

1971 • 37 citations

Relation between electronic structure and the chemiluminescence arising from collisions between alkaline earth atoms and halogen molecules

1973 • 35 citations

The acetyl cation and its geometrical isomers

1975 • 28 citations

Chain reaction chemiluminescence of alkaline earth catalyzed N2O–CO flames

1977 • 28 citations

Mechanism of chemiluminescent chain reactions in Mg catalyzed N2O–CO flames

1977 • 25 citations

On the importance of Ba(3D) as the key reactant leading to BaO(A–X) chemiluminescence in the Ba+N2O reaction

1975 • 24 citations

Intracavity dye laser spectroscopy studies of the Ba + N_2O, Ca + N_2O + CO, and Sr + N_2O + CO reactions

1977 • 22 citations

Modulated transmission spectroscopy of gaseous chemi-excited Ca and Sr monoxides

1977 • 18 citations

Symmetry-adapted-multiconfiguration SCF wavefunctions via symmetry-restricted annihilation of single excitations. I.

1977 • 11 citations

Calcium Oxide and Chloride Bands in the Electric Furnace

1942 • 4 citations