Optimized cartesian coordinates of clusters of solvated copper ion in water, ammonia and methanol
Published: 22 April 2022| Version 1 | DOI: 10.17632/5jfh764z7f.1
Contributors:
, Jean Jules FIFEN, Jeanet Conradie, Marrigje ConradieDescription
These data resume optimized Cartesian coordinates of the various isomers of Cu2+(H2O)n, Cu2+(NH3)n and Cu2+(CH3OH)n. The zero-point corrected electronic energies of these isomers are also reported.
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Institutions
Universite de Ngaoundere Faculte des Sciences, University of the Free State
Categories
Physical Chemistry, Theoretical Chemistry, Computational Chemistry