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• W2225689531 endingPage "2095" @default.
• W2225689531 startingPage "2087" @default.
• W2225689531 abstract "Ab initio simulations and calculations were used to study the structures and stabilities of copper oxide clusters, CunOn (n = 1−8). The lowest energy structures of neutral and charged copper oxide clusters were determined using primarily the B3LYP/LANL2DZ model chemistry. For n ≥ 4, the clusters are nonplanar. Selected electronic properties including atomization energies, ionization energies, electron affinities, and Bader charges were calculated and examined as a function of n." @default.
• W2225689531 created "2016-06-24" @default.
• W2225689531 creator A5032832385 @default.
• W2225689531 creator A5051463345 @default.
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• W2225689531 date "2011-03-01" @default.
• W2225689531 modified "2023-09-26" @default.
• W2225689531 title "Density Functional Calculation of the Structure and Electronic Properties of Cu_<i>n</i>O_<i>n</i> (<i>n</i> = 1−8) Clusters" @default.
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• W2225689531 doi "https://doi.org/10.1021/jp104177q" @default.
• W2225689531 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/3070270" @default.
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• W2225689531 hasPublicationYear "2011" @default.
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