Reexamines the electronic structure of water considering divergent views. Discusses several aspects of molecular orbital theory using spectroscopic molecular orbitals and localized molecular orbitals. Gives examples for determining lowest energy spectroscopic orbitals. (ML)

Describes why specific forms of orbitals used to interpret spectroscopy involving electronic transitions may not say much about the electronic structure of molecules. Discusses several theoretical approaches to explain the anomoly. Determines that the Lewis electron-pair model for molecules is a good predictor of spectroscopic results. (ML)