COMPUTATIONAL STUDY OF MOLECULES WITH ELECTROACTIVE PROPERTIES
Redox state and pH influence on the molecular and electronic structure of proteins...
Computational chemistry study of sulfide oxidation mediated by peroxo complexes of...
Theoretical investigation of the electronic spectrum of polyoxometalates: assessme...
Low bandgap and donor-acceptor molecular systems as described by a hybrid function...
Charge transport in DNA and RNA molecules: kinetic modeling and experimental Bioel...
Computational simulation of redox processes in complex environments