Ab initio calculations

The Laplace transform perturbative triples correction ansatz

Analysis of the changes on the potential energy surface of Menshutkin reactions induced by external perturbations

Theoretical study of the structure and vibrational spectra of the (H₂O)₂···HF and H₂O···(HF)₂ molecular complexes

On the strength of the C-H···O hydrogen bond and the eclipsed arrangement of the methyl group in a tricyclic orthoamide trihydrate