Víctor Polo

About the calculation of exchange coupling constants using density-functional theory: The role of the self-interaction error

Eliseo Ruíz, Santiago Álvarez, Joan Cano et al. · The Journal of Chemical Physics · 2005 · 332 citations

Engineering, Proton-coupled Electron Transfer, Magnetic Resonance +20

Electron correlation and the self-interaction error of density functional theory

Víctor Polo, Elfi Kraka, Dieter Cremer · Molecular Physics · 2002 · 226 citations

Engineering, Theoretical Inorganic Chemistry, Computational Chemistry +16

Understanding Reaction Mechanisms in Organic Chemistry from Catastrophe Theory Applied to the Electron Localization Function Topology

Víctor Polo, Juán Andrés, Sławomir Berski et al. · The Journal of Physical Chemistry A · 2008 · 203 citations

Catastrophe Theory Applied, Localized Excited State, Engineering +18

Ligand-Controlled Regioselectivity in the Hydrothiolation of Alkynes by Rhodium N-Heterocyclic Carbene Catalysts

Andrea Di Giuseppe, Ricardo Castarlenas, Jesús J. Pérez‐Torrente et al. · Journal of the American Chemical Society · 2012 · 183 citations · Full text

Chemical Engineering, Regioselectivity Switch, Engineering +10

Effective Fixation of CO₂ by Iridium‐Catalyzed Hydrosilylation

Ralte Lalrempuia, Manuel Iglesias, Víctor Polo et al. · Angewandte Chemie International Edition · 2012 · 136 citations · Full text

Materials Science, Moisture-stable Iridium, Chemical Engineering +13