[dr Maja A. Gruden-Pavlovic]

Faculty of Chemistry, Studentski trg 12-16, Beograd
Department of General and Inorganic Chemistry

Phone:   011-3336754

Phone (local):   754

Laboratory:   544

E-mail:   gmaja@chem.bg.ac.rs

Personal data

Born September 13, 1970 in Belgrade. Mother of 1 child.

Education and qualifications

1989-1997: Undergraduate studies - Chemistry / University of Belgrade - Faculty of Chemistry (Belgrade, Serbia)

1997-2001: Master of science studies - Chemistry / University of Belgrade - Faculty of Chemistry (Belgrade, Serbia)

2007: Doctoral academic (PhD) studies - Chemistry / University of Belgrade - Faculty of Chemistry (Belgrade, Serbia)

History of employment

1997-2001: Graduate assistant / University of Belgrade - Faculty of Chemistry (Belgrade, Serbia)

2001-2009: Assistant / University of Belgrade - Faculty of Chemistry (Belgrade, Serbia)

2008-2013: Assistant professor / University of Belgrade - Faculty of Chemistry (Belgrade, Serbia)

2013-2019: Associate professor / University of Belgrade - Faculty of Chemistry (Belgrade, Serbia)

2019: Full professor / University of Belgrade - Faculty of Chemistry (Belgrade, Serbia)

Scientific interest

Coordination, Bioinorganic chemistry, Theoretical chemistry.

Other activities

Vice Dean for Science and International Cooperation from May 19, 2013 till September 30, 2015.

ChemNet Supervisor from March 1, 2017 till September 30, 2020.

Member of the Committee for Strategy of Scientific Development of the Faculty of Chemistry from December 9, 2021 till December 12, 2023.

Member by function of the Committee for Capital Equipment Management from November 10, 2022.

Educational activities

Participation in research projects

Active projects:

Finished projects:

  • 2011: Rational Design and Synthesis of Bioactive and Coordination Compounds and Functional Materials Relevant for (bio)Nanotechnology – 172035   (principal investigator)
    project type:   National Fundamental Research Projects
    project is funded by: Ministry of Science and Technological Development (Belgrade, Serbia)
  • 2011: Convergent Distributed Environment for Computational Spectroscopy – CMST COST Action CM1002
    project type:   International
    project is funded by: European Union (Brusseles, Belgium)
  • 2012: Computational design of materials displaying room temperature magnetic bistability – PSTC-1
    project type:   International
    project is funded by: Ministarstvo prosvete i nauke RS (Belgrade, Serbia), Ministry of Science and Innovation of the Kingdom of Spain (Madrid, Spain)
  • 2014: Explicit Control Over Spin-states in Technology and Biochemistry (ECOSTBio) – CMST COST Action CM1305
    project type:   International
    project is funded by: European Union (Brusseles, Belgium)
  • 2016: Rational Design, Synthesis and Characterization of Novel Single Molecular Magnetic Materials – 451-03-39/2016-09/06   (principal investigator)
    project type:   International
    project is funded by: Ministarstvo prosvete, nauke i tehnološkog razvoja (Belgrade, Serbia), Ministère des Affaires étrangères et du développement international (Paris, France), Ministère de l’Education nationale, de l'Enseignement supérieur et de la Recherche (Paris, France)
  • 2016: Development of Density Functional Theory-based tight-binding (DFTB) for metalloproteins – 451-03-01038/2015-09/7   (principal investigator)
    project type:   International
    project is funded by: Ministarstvo prosvete, nauke i tehnološkog razvoja (Belgrade, Serbia), Deutscher Akademischer Austauschdienst (Berlin, Germany)
  • 2018: Twinning of research activities for the frontier research in the fields of food, nutrition and environmental 'omics (FoodEnTwin) – No. 810752
    project type:   Horizon 2020
    project is funded by: European Commission (Brusseles, Belgium)

Author identification numbers

Representative references

Knjige i revijalni radovi / Books and reviews:

  1. M. Gruden-Pavlović, S. Grgurić-Šipka, S. Grubišić, S. R. Niketić: Praktikum iz opšte hemije, Hemijski fakultet, Beograd, 2008.
  2. M. Zlatar, J. P. Brogg, A. Tschannen, M. Gruden-Pavlović, C. Daul: Density Functional Theory Study of the Multimode Jahn-Teller Effect - Ground State Distortion of Benzene Cation in: Vibronic Interactions and the Jahn-Teller Effect: Progress in Theoretical Chemistry and Physics (Eds. M. Atanasov, C. Daul , P. L. W. Tregenna-Piggott), Springer 23 (2012) 25
  3. C. Daul, M. Zlatar, M. Gruden-Pavlovic and M. Swart: "Application of Density Functional and Density Functional Based Ligand Field Theory to Spin States"Book chapter in Spin states in biochemistry and inorganic chemistry: Influence on Structure and Reactivity, M. Swart, M. Costas (Eds.), Wiley, 2015; Ch. 2, 7-34 DOI: 10.1002/9781118898277.ch2
  4. M. Swart and M. Gruden: "Spinning around in transition-metal chemistry" Acc. Chem. Res. 2016, DOI: 10.1021/acs.accounts.6b00271
  5. Gruden M., Browne W.R., Swart M., Duboc C. (2019) Computational Versus Experimental Spectroscopy for Transition Metals. In: Broclawik E., Borowski T., Radoń M. (eds) Transition Metals in Coordination Environments. Challenges and Advances in Computational Chemistry and Physics, vol 29. Springer, Cham

Izabrani radovi / Selected papers

  1. Lj. Andjelković, S. Stepanović, F. Vlahović, M. Zlatar and M. Gruden: "Resolving the origin of the multimode Jahn–Teller effect in metallophthalocyanines", PCCP, 2016, 18, 29122-29130
  2. Ajdačić, V., Stepanović, S., Zlatović, M., Gruden, M., Opsenica, I.M.: "Decarbonylative Dibromination of 5-Phenylthiophene-2-carbaldehyde with Bromine" (2016) Synthesis, DOI: 10.1055/s-0035-1562615
  3. Stanković, B., Ostojić, B.D., Gruden, M., Popović, A., Đorđević, D.S.: "Substituted naphthalenes: Stability, conformational flexibility and description of bonding based on ETS-NOCV method" (2016) Chemical Physics Letters, 661, pp. 136-142
  4. Bojan Vulovic, Dusan Kolarski, Filip Bihelovic, Radomir Matovic, Maja Gruden, Radomir N. Saicic: "Gold(I)-Catalyzed Domino Cyclizations of Diynes for the Synthesis of Functionalized Cyclohexenone Derivatives. Total Synthesis of (−)-Gabosine H and (−)-6-epi-Gabosine" H, Org. Lett., 2016, DOI: 10.1021/acs.orglett.6b01898
  5. B. Stankovic, B. D. Ostojic, A. Popovic, M. A. Gruden, D. S. Ðordevic: "Theoretical study of nitrodibenzofurans: A possible relationship between molecular properties and mutagenic activity", Journal of Hazardous Materials 318 (2016) 623–630
  6. J. Adhikary, A. Chakraborty, S. Dasgupta, S.K. Chattopadhyay, R. Kruszynski, A. Trzesowska-Kruszynska, S. Stepanovic, M. Gruden-Pavlovic, M. Swart, and D. Das "Unique mononuclear MnII complexes of end-off compartmental Schiff base ligand: experimental and theoretical study on their bio-relevant catalytic promiscuity" Dalton Trans. 2016, DOI: 10.1039/C6DT00625F
  7. A.J. Fitzpatrick, S. Stepanovic, H. Müller-Bunz, M. Gruden-Pavlovic, P. Garcia Fernandez, and G.G. Morgan, "Challenges in assignment of orbital populations in a high spin manganese(III) complex"Dalton Trans. 2016, 45, 6702-6708
  8. M. Zlatar, M. Gruden, O. Vassilyeva, E. Buvaylo, A. Ponomaryov, S. Zvyagin, J. Wosnitza, J. Krzystek, P. García-Fernández, C. Duboc, "Origin of the zero-field splitting in mononuclear octahedral MnIV complexes: A combined experimental and theoretical investigation" Inorg. Chem. 2016, 55 (3), pp 1192–1201
  9. M. Gruden, S. Stepanovic, and M. Swart "Spin state relaxation of iron complexes: The case for OPBE and S12g" J. Serb. Chem. Soc. 2015, 80, 1399-1410 
  10. Filip Vlahović, Marko Perić, Maja Gruden-Pavlović, Matija Zlatar, Assessment of TD-DFT and LF-DFT for study of d − d transitions in first row transition metal hexaaqua complexes, J. Chem. Phys. 142 (2015) doi: 10.1063/1.4922111
  11. Lj. Andjelković, M. Gruden- Pavlović, M. Zlatar, Chemical Physics, (2015), doi: 0.1016/j.chemphys.2015.05.007
  12. Lj. Andjelković, M. Perić, M. Zlatar, M. Gruden- Pavlović, J. Serb. Chem. Soc. (2015), doi: 10.2298/JSC141107025A 
  13. M. Perić, A. García-Fuente, M. Zlatar, C. Daul, S. Stepanović, P. García-Fernández, and M. Gruden-Pavlović
    "Magnetic Anisotropy in “Scorpionate” First-Row Transition-Metal Complexes: A Theoretical Investigation"
    Chem. Eur. J. 2015, 21(9), 3716.
  14. B. Čobeljić, A. Pevec, S. Stepanović, V. Spasojević, M. Milenković, I. Turel, M. Swart, M. Gruden-Pavlović, K. Adaila, and K. Anđelković"Experimental and theoretical investigation of octahedral and square-planar isothiocyanato complexes of Ni(II) with acylhydrazones of 2-(diphenylphosphino)benzaldehyde"Polyhedron 2015, 89, 271-279
  15. M. Jovanović, M. Gruden-Pavlović, M. Zlatović, Stabilizing non-covalent interactions of ligand aromatic moieties and proline in ligand - protein systems, Monatsh. Chem. 14 (2015) 389–397
  16. K. Adaila, M. Milenković, A. Bacchi, G. Cantoni, M. Swart, M. Gruden-Pavlović, M. Milenković, B. Čobeljić, T. Todorović and K. Andjelković: Synthesis, characterization, DFT calculations and antimicrobial activity of Pd(II) and Co(III) complexes with condensation derivative of 2-(diphenylphosphino)benzaldehyde and Girard's T reagent, J. Coord. Chem.  67 (2014) 3633-3648
  17. R. Matović, F. Bihelović, M.Gruden-Pavlović, R. N. Saičić: Total synthesis and biological evaluation of atrop-O-benzyl-desmethylabyssomicin C, Org. Biomol. Chem. 12 (2014) 7682-7685
  18. M. Milenković, A. Pevec, I. Turel, M. Vujčić, M. Milenković, K. Jovanović, N. Gligorijević, S. Radulović, M. Swart, M. Gruden-Pavlović, B. Čobeljić and K. Anđelković: Synthesis, characterization, DFT calculation and biological activity of square-planar Ni(II) complexes with tridentate PNO ligands and monodentate pseudohalogenides. Part II, Eur. J. Med. Chem. 87 (2014) 284-297
  19. P. García-Fernández, J. A. Aramburu, M. Moreno, M. Zlatar and M. Gruden-Pavlović: A Practical Computational Approach to Study Molecular Instability Using the Pseudo Jahn-Teller Effect, J. Chem. Theory Comput., 10/4 (2014) 1824-1833
  20. M. Gruden-Pavlović, S. Stepanović, M. Perić, M. Güell and M. Swart: Density functional study of the spin state energetics of polypyrazolylborato complexes of first-row transition metals, Phys. Chem. Chem. Phys. 16 (2014) 14514-14522
  21. M. Perić, L. Andjelković, M. Zlatar, C. Daul, M. Gruden-Pavlović: DFT investigation of the influence of Jahn-Teller distortion on the aromaticity in square-planar arsenic and antimony clusters, Polyhedron 80 (2014) 69-80
  22. B. Vulović, M.Gruden-Pavlović, R. Matović and R. N. Saičić: Substrate Stereocontrol in the Intramolecular Organocatalyzed Tsuji-Trost Reaction: Enantioselective Synthesis of Allokainates, Org. Lett. 16 (2014) 34-37
  23. M. Gruden-Pavlović, M. Perić, M. Zlatar, P. García-Fernández,: Theoretical study of the magnetic anisotropy and magnetic tunneling in mononuclear Ni(II) complexes with potential molecular magnet behavior, Chem. Sci. 5 (2014) 1453
  24. K. S. Shweshein, F. Andrić, A. Radoičić, M. Zlatar, M. Gruden-Pavlović, Ž. Tešić and D. Milojković-Opsenica: Lipophilicity assessment of ruthenium(II)-arene complexes by the means of reversed-phase thin-layer chromatography and DFT calculations, The Scientific World Journal vol. 2014 (2014), article ID 862796, 10 pages
  25. S. Stepanović, L. Andjelković, M. Zlatar, K. Andjelković, M. Gruden-Pavlović and M. Swart: Role of Spin-State and Ligand-Charge in Coordination Patterns in Complexes of 2,6-Diacetylpyridinebis(semioxamazide) with 3d-Block Metal Ions: A Density Functional Theory Study, Inorg. Chem. 52/23 (2013) 13415-13423
  26. P. García-Fernández, L. Andjelković, M. Zlatar, M. Gruden-Pavlović and A. Dreuw: A simple monomer-based model-Hamiltonian approach to combine excitonic coupling and Jahn-Teller theory, J. Chem. Phys. 139 (2013) 174101
  27. M. Zlatar, M. Gruden-Pavlović, M. Güell, M. Swart: Computational study of the spin-state energies and UV-VIS spectra of bis(1,4,7-triazacyclononane) complexes of some first-row transition metal cations, Phys. Chem. Chem. Phys. 15/18 (2013) 6631-663
  28. M. Perić, L. Andjelković, M. Zlatar, A. S. Nikolić, C. Daul, M. Gruden-Pavlović: Spherical aromaticity of Jahn-Teller active fullerene ions, Monatsh. Chem. 144/6 (2013) 817-823.
  29. H. Ramanantoanina, M. Zlatar, P. Garcia Fernandez, C. Daul, M. Gruden-Pavlović: General treatment of the multimode Jahn-Teller effect: Study of fullerene cation, Phys. Chem. Chem. Phys. 15/4 (2013) 1252-1259
  30. Lj. Andjelković, M. Gruden-Pavlović, C. Daul, M. Zlatar: The Choice of the Exchange-Correlation Functional for the Determination of the Jahn-Teller Parameters by the Density Functional Theory, Int. J. Quantum Chem. 113/6 (2013) 859-864.
  31. H. Ramanantoanina, M. Gruden-Pavlović, M. Zlatar, C. Daul: Density Functional Theory Study of the Multimode Jahn-Teller Problem in the Fullerene Anion, Int. J. Quantum Chem. 113/6 (2013) 802-807
  32. M. Djordjević, D. Jeremić, K. Anđelković, M. Gruden-Pavlović, V. Divjaković, M. Šumar Ristović, I. Brceski: Novel Cobalt(II) and Cadmium(II) compounds with adamantane-1-sulfonic acid, J. Serb. Chem. Soc. 77/10 (2012), 1391-1399
  33. M. Šumar Ristović, M. Gruden-Pavlović, M. Zlatar, V. Blagojević, K. Anđelković, D. Poleti, D. M. Minić: Kinetics, mechanism and DFT calculations of thermal degradation of Zn(II) complex with 3 N-benzyloxycarbonylglycinato ligand, Monatsh. Chem. 143 (2012) 1133-1139
  34. M. Perić, M. Zlatar, S. Grubišić, M. Gruden-Pavlović: Magnetic couplings mediated through the non-covalent interactions, Polyhedron 42/1 (2012) 89-94
  35. Lj. Andjelković, M. Perić, M. Zlatar, S. Grubišić, M. Gruden-Pavlović: Magnetic criteria of aromaticity in a benzene cation and anion: How does the Jahn-Teller effect influence the aromaticity? Tetrahedron Letters, 53/7 (2012) 794-799
  36. Č. Jovalekić, A. S. Nikolić, M. Gruden-Pavlović and M. Pavlović: Mechanochemical synthesis of stochiometric nickel and nickel-zinc ferrite powders with Nicolson-Ross analysis of absorption coefficients, J. Serb. Chem. Soc., 77/4 (2012) 497-505
  37. M. Perić, M. Zlatar, M. Gruden-Pavlović, S. Grubišić: A DFT study of the magnetic coupling interaction in a series of binuclear oxalate complexes, Monatsh. Chem. 143 (2012) 569
  38. M. Gruden-Pavlović, P. García-Fernández, Lj. Andjelković, C. Daul,  M. Zlatar: Treatment of the Multimode Jahn-Teller Problem in Small Aromatic Radicals, J. Phys. Chem. A 115 (2011) 10801
  39. F. Senn, M. Zlatar, M. Gruden-Pavlović, C. Daul: Computational analysis of tris(1,2-ethanediamine) cobalt(III) complex ion: calculation of the 59Co shielding tensor using LF-DFT, Monatsh. Chem. 142 (2011) 593
  40. M. Perić, M. Zlatar, S. R. Niketić, M. Gruden-Pavlović, S. Grubišić: DFT and MM description of the structure and magnetic properties of manganese complexes with X-phenylcyanamido bridging ligand, Monatsh. Chem. 142 (2011) 585
  41. Lj. Andjelković, S. Grubisic, I. Djordjević, M. Zlatar, S. Niketić, M. Gruden-Pavlović: Consistent Force Field for Metalloporphyrins, J. Serb. Chem. Soc. 75/12 (2010) 1671-1683
  42. M. Zlatar, M. Gruden-Pavlović, C-W. Schlaepfer, C. Daul: Intrinsic Distortion Path in the analysis of the Jahn-Teller effect, Journal of Molecular Structure: THEOCHEM 954/1-3 (2010) 86-93
  43. M. Gruden-Pavlović, M. Zlatar, C-W. Schlaepfer, C. Daul: DFT study of the Jahn-Teller effect in Cu(II) chelate complexes, Journal of Molecular Structure: THEOCHEM 954/1-3 (2010) 80-85
  44. J. Lazić, Lj. Vučićević, S. Grgurić-Šipka, K. Janjetović, G. Kaludjerović, M. Misirkić, M. Gruden-Pavlović, D. Popadić, R. Paschke, V. Trajković, T. Sabo: Synthesis and in vitro Anticancer Activity of Octahedral Platinum(IV) Complexes with Cyclohexyl-Functionalized Ethylenediamine-N,N'-Diacetate-Type Ligands, ChemMedChem 5/6 (2010) 881-889
  45. B. Antić, A. Kremenović, M. Vučinić-Vasić, Z. Dohčević-Mitrović, A. S. Nikolić, M. Gruden-Pavlović, B. Jančar, A. Meden: Composition related properties of (Yb,Y)2O3 nanoparticles synthesized by controlled thermal degradation of AA complexes, Materials Chemistry and Physics 122/2-3 (2010) 386-391
  46. M. Zlatar, M. Gruden-Pavlović, C-W. Schlapfer, C. Daul: Density Functional Theory for the study of the multimode Jahn-Teller effect, Chimia 64/3 (2010) 161-164