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...
COMPUTATIONAL STUDY OF MOLECULES WITH ELECTROACTIVE PROPERTIES
Computational simulation of redox processes in complex environments
Time-dependent density functional theory approximations for charge separation proc...
Low bandgap and donor-acceptor molecular systems as described by a hybrid function...