Research Interests

- Quantum chemistry of organics, coordination   complexes, diatomics and potential antibacterial agents: density functional   theory and multi-reference perturbation theory;

- Molecular spectroscopy: IR, Raman and UV/Vis   spectra;

- Internal rotation in non-rigid molecules;

- Quantum dynamics

Research Projects

2018 – 2020, “Investigation of   the structure and optical characteristics of adamantane-containing compounds,   promising for drug design” (Belarusian Republican Foundation for Fundamental   Research, Belarus – College of Pharmacy of King Saud University, Saudi   Arabia) (project’s head)

2016 – 2020, “Investigation of   the regularities of formation of complex polymer composites based on quantum   chemical modeling and spectral-structural correlations of macromolecular   fragments” (Scientific program “Convergence–2020”, Belarus)

2014 – 2016, “Investigation of the spectral and energetic   characteristics of the polar diatomic molecules for the modeling and creating   of nanostructures” (Belarusian Republican Foundation for Fundamental   Research, Belarus – Laser Centre of the Latvian   University, Latvia) (project’s main   performer)

2012 – 2013, “Development of   methods for the synthesis and analysis of ultrafine uranium oxides and   complexes as a catalyst for the sorption of uranium in the disposal of   radioactive waste” (Scientific program “Nuclear Energy, Nuclear and   Radioactive Technologies”, Belarus)

2012 – 2013, “Production of   ultrafine powders of uranium oxides by a laser method and the study of the   mechanism of interaction of complexes with crystalline and polymeric   matrices” (Scientific program “Crystal and Molecular Structures”, Belarus)

2012 – 2013, “Development of a   multidisciplinary multimedia educational complex on astronomy” (Ministry of   Education, Belarus) (project’s main performer)

2011 – 2012, “Investigation of the effect of heterogeneous   halogenation on the structural and spectroscopic properties and sorption   characteristics of polyurethane foam” (Belarusian Republican Foundation for   Fundamental Research, Belarus)

2010 – 2011, “Development of a   multimedia teaching and research complex on atomic physics for universities”   (Ministry of Education, Belarus) (project’s main performer)

2008 – 2010, “Quantum-chemical   study of the spectral characteristics of isotope-substituted oxybenzenes in   order to increase the reliability and accuracy of the quantitative spectral   analysis of the main structural fragments of gas-filled polymers” (Belarusian   Republican Foundation for Fundamental Research, Belarus)

2008 – 2009, “Development of a   conceptual model and content of a physical workshop in general physics for   students based on the competence approach” (Ministry of Education, Belarus) (project’s main   performer)

2006 – 2008, ”Investigation of the torsional motion of   substituents in dioxybenzenes and spectral-conformational analysis of the   basic elements of polyurethane foam” (Belarusian Republican Foundation for   Fundamental Research, Belarus)

2005 – 2007, ”Investigation of the regularities of formation of   diffraction structures and transitions between structures of different   symmetry in nonlinear optical systems with feedback” (Belarusian Republican   Foundation for Fundamental Research, Belarus)

Honors and Awards

Certificates of honor of BSU   (2011) and Faculty of Physics (2008, 2010, 2011)

Publications

Selected scientific publications (2011 – 2018):

- Y.L.   Mindarava, M.B. Shundalau, L.H. Al-Wahaibi, A.A. El-Emam, A.S. Matsukovich,   S.V. Gaponenko. Spectral analysis of   3-(adamantan-1-yl)-4-ethyl-1-[(4-phenylpiperazin-1-yl)   methyl]-1H-1,2,4-triazole-5(4H)-thione. J. Appl. Spectrosc., 85 (2018)   203–215.

- M.A.   Ksenofontov, E.Yu. Bobkova, M.B. Shundalau, L.E. Ostrovskaya, V.S. Vasil’eva.   Quantum chemical simulation of the interaction of functional groups in   polyurethanes with 3d-metal ions during their extraction from aqueous   solutions. J. Appl. Spectrosc., 84 (2017) 816–823.

- D.N.   Menailava, M.B. Shundalau. Optical cycle modelling for RbYb and CsYb   molecules. J. Appl. Spectrosc., 84 (2017) 543–548.

- D.N.   Meniailava, M.B. Shundalau. Multi-reference perturbation theory study on the   CsYb molecule including the spin-orbit coupling. Comp. Theor. Chem., 1111   (2017) 20–26.

- M.B.   Shundalau, A.A. Minko. Ab initio multi-reference perturbation theory   calculations of the ground and some excited states of the RbYb molecule.   Comp. Theor. Chem., 1103 (2017) 11–16.

- A.M.   Andrianov, I.A. Kashyn, V.M. Andrianov, M.B. Shundalau, A.V. Hlinisty, S.V.   Gaponenko, E.V. Shabunya-Klyachkovskaya, A. Matsukovich, A.-M.S. Al-Tamimi,   and A.A. El-Emam. Structure of N'-(adamantan-2-ylidene)benzohydrazide, a   potential antibacterial agent, in solution: Molecular dynamics simulations,   quantum chemical calculations and Ultraviolet–visible spectroscopy studies.   J. Chem. Sci., 128 (2016) 1933–1942.

- M.B.   Shundalau, G.A. Pitsevich, A.E. Malevich, A.V. Hlinisty, A.A. Minko, R.   Ferber, and M. Tamanis. Ab initio multi-reference perturbation theory   calculations of the ground and low-lying electronic states of the KRb   molecule. Comp. Theor. Chem., 1089 (2016) 35–42.

- M.B.   Shundalau, E.S. Al-Abdullah, E.V. Shabunya-Klyachkovskaya, A.V. Hlinisty,   O.A. Al-Deeb, A.A. El-Emam, and S.V. Gaponenko. Raman, infrared and DFT studies   of N′-(adamantan-2-ylidene)benzohydrazide, a potential antibacterial agent.   J. Mol. Struct., 1115 (2016) 258–266.

- M.B.   Shundalau, A.A. Zazhogin, A.P. Zazhogin, A.I. Komyak, and D.S. Umreiko.   Structure and vibrational spectra of uranyl dinitrate complexes with water   and DMSO. J. Appl. Spectrosc., 82 (2015) 25–32.

- M.B.   Shundalau and D. S. Umreiko. Quantum chemical analysis of uranium trioxide   conformers. J. Appl. Spectrosc., 80 (2013) 807–812.

- M.B.   Shundalau, A.I. Komiak, A.P. Zajogin, and D.S. Umreiko. A DFT study of the   structure and vibrational IR spectra of the UO2Cl2•2HMPA and UCl4•2HMPA   complexes. J. Spectrosc. Dyn., 2013, 3: 4.

- M.B.   Shundalau, P.S. Chybirai, A.I. Komyak. A.P. Zazhogin, and D.S. Umreiko.   Structure and vibrational IR spectra of UCl4•2DMSO complex. J. Appl.   Spectrosc., 79 (2012) 165–172.

- M.B.   Shundalau, A.I. Komyak. A.P. Zazhogin, and D.S. Umreiko. Structure of the   complex UCl4•2DMF by vibrational infrared spectroscopy and Density Functional   Theory. J. Appl. Spectrosc., 79 (2012) 22–30.

- M.   Shundalau and O.G. Romanov. Coherent tunneling in periodic symmetric multiple   well potentials. J. Spectrosc. Dyn., 2011, 1: 5.

- G.A.   Pitsevich, M.B. Shundalau, M.A. Ksenofontov, and D.S. Umreiko. Vibrational   analysis of 4,4-methylene diphenyl diisocyanate. Global J. Analyt. Chem., 2   (2011) 114–124.

- M.B.   Shundalau, P.S. Chybirai, A.I. Komyak, A.P. Zazhogin, M.A. Ksenofontov, and   D.S. Umreiko. Modeling of structure and vibrational IR spectra for   N,N-dimethylformamide dimers by Density Functional Theory. J. Appl.   Spectrosc., 78 (2011) 343–353.

Main educational and popular science publications:

- V.I.   Shuplyak, M.B. Shundalau, A.P. Klishchanka, and V.V. Malyshchyc. Astronomy.   Minsk, Vyshejshaja shkola (2016), 310 pages, textbook (in Russian)

- M.B.   Shundalau. Valence. In Encyclopedia for Students, Vol. 6. Chemistry and   Biology. Minsk (2016) 14 (in Russian)

- M.B.   Shundalau and A.A. Sokolsky. Hydrogen. In Encyclopedia for Students, Vol. 6.   Chemistry and Biology. Minsk (2016) 17 (in Russian)

- M.B.   Shundalau and A.A. Sokolsky. Helium. In Encyclopedia for Students, Vol. 6.   Chemistry and Biology. Minsk (2016) 17–18 (in Russian)

- G.F.   Stelmakh and M.B. Shundalau. Chemical Bonding. In Encyclopedia for Students,   Vol. 6. Chemistry and Biology. Minsk (2016) 32–33 (in Russian)

- A.V.   Hlinisty, V.V. Malyshchyc, G.F. Stelmakh, M.B. Shundalau, V.I. Shuplyak. A   modern multimedia learning system for astronomy. High School, # 3 (2013)   23–26 (in Belarusian)

- A.A.   Sokolsky and M.B. Shundalau. Atom. In Encyclopedia for Students, Vol. 2.   Physics and Mathematics. Minsk (2010) 15–17 (in Russian)

- A.A.   Sokolsky and M.B. Shundalau. Atomic Physics. In Encyclopedia for Students,   Vol. 2. Physics and Mathematics. Minsk (2010) 17–18 (in Russian)

- M.B.   Shundalau. Ion. In Encyclopedia for Students, Vol. 2. Physics and   Mathematics. Minsk (2010) 97 (in Russian)

- M.B.   Shundalau and A.A. Sokolsky. Molecule. In Encyclopedia for Students, Vol. 2.   Physics and Mathematics. Minsk (2010) 173–175 (in Russian)

- A.A.   Sokolsky and M.B. Shundalau. Periodic Table of Elements. In Encyclopedia for   Students, Vol. 2. Physics and Mathematics. Minsk (2010) 211–213 (in Russian)

- M.B.   Shundalau. Exotic Atoms. In Encyclopedia for Students, Vol. 2. Physics and   Mathematics. Minsk (2010) 344–345 (in Russian)

- G.A.   Pitsevich and M.B. Shundalau. Molecular Spectroscopy. Minsk, BSU (2005) 135   pages, textbook (in Russian)