THE ELECTRONIC STRUCTURE AND SPECTRA OF NITRO COMPOUNDS
Creators:McEwen, K. Lenore
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Publisher:Ohio State University
“A semi-empirical S.C.F. molecular orbital calculation, including configuration interaction, has been carried out to obtain the electronic structure and transition energies of a series of compounds containing the nitre-group. The extent to which atomic valence state energies should be modified for use in such a calculation is briefly considered.”
Author Institution: Department of Chemistry, University Montreal
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