Title: Benchmarking of DFT methods using experimental free energies and volumes of activation for the cycloaddition of alkynes to cuboidal Mo3S4 clusters

Authors: Pedrajas, E.; Pino-Chamorro, J.A.; Ferrer, M.; Fernández-Trujillo, M.J.; Llusar, R.; Martínez, M.; Basallote, M.G.; Algarra, A.G.
Journal: International Journal of Quantum Chemistry
Vol: 120
Number: 19
Start page: e26353
Last page:
DOI: doi
Institutional repositories: http://hdl.handle.net/2445/170096
Year: 2020
Key: Article