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Many-body perturbation theory and polarization propagator studies of the structure, energetics and excitation spectrum of CO3

✍ Scribed by Sylvio Canuto; Geerd H.F. Diercksen


Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
659 KB
Volume
120
Category
Article
ISSN
0301-0104

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Hybrid density functional theory calculations on the structures, vibrational frequencies, electron binding and dissociation energies, and bonding properties of CuO - 3 and CuO 3 species have been carried out. Stable isomers containing an O 3 subunit and composed of O 2 bound to CuO have been located