Repository for the article "Navigating Epoxidation Complexity: Building a Data Science Toolbox to Design Vanadium Catalysts" of the New Journal of Chemistry
Ferraz-Caetano, J.; Teixeira, F.; Dias Soeiro Cordeiro, M. N. Navigating Epoxidation Complexity: Building a Data Science Toolbox to Design Vanadium Catalysts. New Journal of Chemistry 2024, 10.1039/D3NJ05784D. DOI: 10.1039/D3NJ05784D.
Code was written by José Ferraz-Caetano, under the supervision of Filipe Teixeira and Natália Cordeiro.
This code was developed at the Univerisity of Porto and was supported by the "Fundação para a Ciência e Tecnologia" (FCT/MCTES) to LAQV-REQUIMTE Lab (UIDP/50006/2020). JFC’s PhD Fellowship is supported by the doctoral Grant (SFRH/BD/151159/2021) financed by FCT, with funds from the Portuguese State and EU Budget through the Social European Fund and Programa Por_Centro, under the MIT Portugal Program.