Quantum chemical benchmark databases of gold-standard dimer interaction energies.
Donchev AG, Taube AG, Decolvenaere E, Hargus C, McGibbon RT, Law KH, Gregersen BA, Li JL, Palmo K, Siva K, Bergdorf M, Klepeis JL, Shaw DE.
Donchev AG, et al. Among authors: taube ag.
Sci Data. 2021 Feb 10;8(1):55. doi: 10.1038/s41597-021-00833-x.
Sci Data. 2021.
PMID: 33568655
Free PMC article.