The electronic structure of lithium ethylene (LiCHCH2) and related molecules

The results of SCF-MO calculations using large basis sets are reported for H₂CCHLi, H₂CCHO and H₂CCH₂. Particular attention is paid to obtaining chemically useful information from the wavefunction using techniques such as population analysis, density difference maps, etc., and the bonding in and electronic properties of the three molecules are compared.