http://www.loc.gov/mods/v3 http://www.loc.gov/standards/mods/v3/mods-3-2.xsd
The MCD spectra of the negative ions of magnesium phthalocyanine and the mononegative ion of coreonene have been measured and used with theoretical calculations to assign several of the bands. Self-consistent field wave functions were used, and a limited amount of configuration interaction was included. The parameters used were checked by a calculation of the neutral spectrum, with good agreement. Further checks on the tetranegative ion revealed poor agreement if neutral wave functions were used, while quite good agreement was obtained if the four extra electrons were included in the SCF calculations. ...
Ph. D. in Physics Texas A & M University