Electronic structure and vibrational analysis of the alkali peroxides K2O2 and Rb2O2

Non-empirical pseudopotentials for molecular calculations

1977 • 334 citations

Matrix Reactions of K and Rb Atoms with Oxygen Molecules

1971 • 118 citations

ESR spectra of matrix isolated CsO and RbO molecules: 2Σ ground states and inner shell bonding

1974 • 76 citations

ESR of matrix isolated alkali superoxides

1974 • 64 citations

The electronic ground states of alkali monoxides

1975 • 55 citations

Alkali oxide diatomics: Explanation of the change in ground state symmetry from LiO(2Π) CsO(2Σ+)

1982 • 54 citations

A b i n i t i o geometry and vibrational frequencies for lithium peroxide

1977 • 39 citations

Doubly charged cation representation by pseudopotentials and its performance in predicting water–cation interactions

1982 • 28 citations

LCAO–MO–SCF calculation of the metal–oxygen bonding in the M2O2 series: M = Li, Na, and K

1981 • 10 citations