Performance of functionals based on Correlated Orbital Theory in the study of optical...

Study of Properties in Molecules containing Heavy Atoms by means of a New Relativistic...

Theoretical study of the semi-reduction reaction mechanism of 1,2-diphenyl acetylene...

Elucidation of ring-opening metathesis polymerization mechanisms with norbornene...

Development of Prolapse Free Basis Sets Functions of Duble-ζ and Triple-ζ...

Analysis of the stability of transition states in chemical reactions using tools...

Assessment of new density functionals in the determination of vertical excitation...

Advanced methods of relativistic quantum chemistry applied in chemical kinetics ...

New parameterizations of hybrid functionals to use in relativistic calculations

Application of the Quantum Theory of Atoms in Molecules in studies of complexation,...