Aromaticity as a Guiding Concept for Spectroscopic Features and Nonlinear Optical Properties of Porphyrinoids

Por Woller, Tatiana, Geerlings, Paul, De Proft, Frank, Champagne, Benoît, Alonso, Mercedes
Publicado no Molecules (2018)

A Benchmark of Density Functional Approximations For Thermochemistry and Kinetics of Hydride Reductions of Cyclohexanones

Por Deraet, Xavier, Woller, Tatiana, Van Lommel, Ruben, De Proft, Frank, Verniest, Guido, Alonso, Mercedes
Publicado no ChemistryOpen (2019)