It has been theoretically studied the mechanism of formation of the peptide bond in the protein molecule. Condensing reactions between alanine (Ala), glycine (Gly) and valine (Val) with the formation of dimomers: alanilglycine, ...

The Pseudo Jahn-Teller origin of the proton transfer energy barrier in MHM+ protonbound dimers is revealed by ab initio calculations of their electronic structures and energy curves of the adiabatic potential. The vibronic ...

In this paper we will theoretically study the decoupling of the condensation reaction of 4- pyridinecarboxaldehyde with p-aminobenzoic acid, being performed theoretical calculations, in two different media, in vacuum and ...