Revealing the thermodynamic driving force for ligand-based reductions in quinoids; conceptual rules for designing redox active and non-innocent ligands

por Skara, G., Pinter, B., Geerlings, P., De Proft, F.
Publicado 2015

Conceptual density functional theory under pressure: Part I. XP-PCM method applied to atoms

por Eeckhoudt, J., Bettens, T., Geerlings, P., Cammi, R., Chen, B., Alonso, M., De Proft, F.
Publicado 2022