Browsing by Subject "Pseudo Jahn-Teller Effect"

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Originea Pseudo Jahn-Teller a barierei de energie a transferului de proton în dimerii protonați

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 ...
Pseudo efectul Jahn-Teller în starea de tranziție a transferului dublu de protoni în dimerul acidului formic

BĂLAN, Iolanta; GORBACIOV, Mihail; GORINCIOI, Natalia (Universitatea Pedagogică de Stat "Ion Creangă", 2023-03-18)

This paper reflects a theoretical study of double proton transfer in formic acid dimer (as a model) using the Pseudo Jahn-Teller Effect (PJTE) theory and ab initio calculations of electronic structure and adiabatic potential ...
Studiu teoretic al cei mai stabili izomeri ai moleculelor IO3și HIO3

GORINCIOI, Natalia; BĂLAN, Iolanta; ARSENE, Ion (Universitatea Pedagogică de Stat "Ion Creangă", 2023-03-18)

In the present work the qualitative features of the electronic structure of the XO3− and HXO3 molecules, their possible spatial structures and the form of the adiabatic potential energy surfaces (APES) of these systems in ...

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