Metal-organic reactions (MOR41)
A comprehensive benchmark set of reaction energies for realistic metal organic reactions (MOR41)
The MOR41 is a benchmark set consisting of 41 closed shell
organometallic reactions resembling many important chemical transformations commonly used in transition metal chemistry and
catalysis. It includes significantly larger molecules than presented in
other transition metal test sets and covers a broad range of bonding
motifs.
The supporting Information can be found here.
Furthermore, all necessary geometries are available for download here (as tar
file).
Click here for an interactive table with the results of all assessed methods.
This web site was last updated on 18/05/2018.
