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Optimized cartesian coordinates of clusters of solvated copper ion in water, ammonia and methanol

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Mendeley Data2026-04-18 收录
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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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2022-04-22
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