BALAN, Iolanta; GORBACHEV, Mikhail; GORINCHOY, Natalia; ARSENE, Ion
(Universitatea de Stat din Tiraspol, 2022)
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 ...