Metal-organic reactions (MOR41)

This web site is an overview of the MOR41 database, recently presented by S. Dohm, A. Hansen, M. Steinmetz, S. Grimme and M.P. Checinski in J. Chem. Theory Comput., 2018, DOI: 10.1021/acs.jctc.7b01183

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.

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