Iolanta Balan

Iolanta Balan is the head of the Laboratory of Physical and Quantum Chemistry. Research areas include Computational chemistry, molecular modeling, quantum chemistry, quantum-chemical calculations of electronic structure, Jahn-Teller effect and pseudoJahn-Teller effect.

Publications

Pseudo Jahn-Teller Effect in Transition States of Redox Processes
Pseudo Jahn-Teller Effect in Transition States of Redox Processes
Natalia Gorinchoy, Iolanta Balan, Mikhail Gorbachev, Ion Arsene, Victor Polinger, Gheorghe Duca, Isaac Bersuker. © 2023. 40 pages.
The authors show that the instability of the transition (activated) states of chemical reactions are due to the vibronic coupling of the ground electronic state with the...
Electronic Structure-Antioxidant Action Relationships for Chemical Compounds: A Quantum Chemical Study
Electronic Structure-Antioxidant Action Relationships for Chemical Compounds: A Quantum Chemical Study
Mikhail Gorbachev, Natalia Gorinchoy, Iolanta Balan, Ion Arsene. © 2023. 16 pages.
The relationships between electronic structure particularities and antioxidant activity of some chemical compounds are considered on the basis of the density functional theory...