Optimized Cartesian coordinates of clusters of the gas phase solvated ferrous ion in methanol
收藏Mendeley Data2026-04-09 收录
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资源简介：
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.
提供机构：
Jules FIFEN
