Rationalizing the Mechanism of Peroxyformate Decomposition: Computational Insights To Understand Solvent Influence

por Garay‐Ruiz, Diego, Bo, Carles
Publicado 2021

Chemical reaction network knowledge graphs: the OntoRXN ontology

por Garay-Ruiz, Diego, Bo, Carles
Publicado 2022

New Tools for Taming Complex Reaction Networks: The Unimolecular Decomposition of Indole Revisited

por Garay-Ruiz, Diego, Álvarez-Moreno, Moises, Bo, Carles, Martínez-Núñez, Emilio
Publicado 2022

Elucidating Sulfide Activation Mode in Metal-Catalyzed Sulfoxidation Reactivity

por Garay-Ruiz, Diego, Zonta, Cristiano, Lovat, Silvia, González-Fabra, Joan, Bo, Carles, Licini, Giulia
Publicado 2022

Unparalleled selectivity and electronic structure of heterometallic [LnLn′Ln] molecules as 3-qubit quantum gates

por Maniaki, Diamantoula, Garay-Ruiz, Diego, Barrios, Leoní A., Martins, Daniel O. T. A., Aguilà, David, Tuna, Floriana, Reta, Daniel, Roubeau, Olivier, Bo, Carles, Aromí, Guillem
Publicado 2022