Atomistic adsorption of PETase onto large-scale PET 3D-models that mimic reality (2024)
Artigo em Revista Científica Internacional
Paiva, P; Ippoliti, E; Carloni, P; Pedro A Fernandes; Ramos, MJ

The path towards type V deep eutectic solvents: inductive effects and steric hindrance in the system <i>tert</i>-butanol plus perfluoro <i>tert</i>-butanol (2023)
Artigo em Revista Científica Internacional
Vaz, ICM; Ana I M C L Lobo Ferreira; Silva, GMC; Morgado, P; Abranches, DO; Bastos, M; Luis M N B F Santos; Filipe, EJM; Coutinho, JAP

How great is the stabilization of crowded polyphenylbiphenyls by London dispersion? (2023)
Artigo em Revista Científica Internacional
Lima, CRAC; Mague, JT; Du, YC; Pascal, RA; Luis M N B F Santos

An integrated protocol to study hydrogen abstraction reactions by atomic hydrogen in flexible molecules: application to butanol isomers (2022)
Artigo em Revista Científica Internacional
Ferro Costas, D; Natalia N D S Cordeiro; Fernandez Ramos, A