Density functional theory study of the s
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Zexing Cao; Miquel Solà; Hui Xian; Miquel Duran; Qianer Zhang
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Article
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2000
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John Wiley and Sons
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English
⚖ 171 KB
👁 2 views
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