Application of the QTAIM / CCTDP model and machine learning for the forecast of ch...
Spectroscopic studies of neutral and ionic diatomic systems and of molecular react...
Classical and quantum dynamics of polyatomic molecules in the gas phase
Parallel Tempering Monte Carlo implementation for the study of thermodynamic prope...
Studying the Effect of the Environment on Quantum Tunneling Phenomena
Molecular modelling of Eeectron transfer reactions in self-assembled monolayers
Transition structures of chemical reactions in solution through the free energy gr...