1317-39-1, Name is Copper(I) oxide, belongs to copper-catalyst compound, is a common compound. Safety of Copper(I) oxideIn an article, once mentioned the new application about 1317-39-1.
Density functional calculation of the structure and electronic properties of CunOn (n = 1-8) clusters
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.
Do you like my blog? If you like, you can also browse other articles about this kind. Thanks for taking the time to read the blog about 1317-39-1
Reference£º
Copper catalysis in organic synthesis – NCBI,
Special Issue “Fundamentals and Applications of Copper-Based Catalysts”