Optimized Cartesian coordinates of clusters of the solvated phase of the solvated ferrous ion in methanol

Published: 14 June 2022| Version 1 | DOI: 10.17632/4k2nb7cyrc.1
Contributor:
Jules FIFEN

Description

These data are optimized Cartesian coordinates of clusters of the solvated phase of the solvated ferrous ion in methanol. Coordinates are given for the various isomers of each cluster size from n=1 to n=10. All the optimisations were performed in solvent phase at the MP2/6-31++G(d,p) level of theory.

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Institutions

Universite de Ngaoundere Faculte des Sciences

Categories

Physical Chemistry, Ionic Liquid

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