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 Conradie

Description

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

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