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

Published: 14 June 2022| Version 1 | DOI: 10.17632/zx2mmky8s3.1
Contributor:
Jules FIFEN

Description

These data are optimized Cartesian coordinates of clusters of 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 the gas phase at the MP2/6-31++G(d,p) level of theory.

Files

Institutions

Universite de Ngaoundere Faculte des Sciences

Categories

Physical Chemistry, Ionic Liquid

License