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

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

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

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,...

Analysis of variations in infrared intensities during protonation of molecules detected...

Development of polarized relativistic Gaussian basis sets and applications

Analysis of electronic charge flux in vibrational modes