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 FIFENDescription
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