Maja Gruden-Pavlovic
Leader Working Group 1
Contact
Dr. Maja Gruden-Pavlovic
University of Belgrade
Faculty of Chemistry
Studentski trg 12-16
11000 Belgrade
Serbia
website,
mail
Expertise
Metals:
Cr,
Mn,
Fe,
Co,
Ni,
Cu
Techniques: DFT,
LF-DFT
Resources: CPUs
Recent publications
Pablo García-Fernández, Jose Antonio Aramburu, Miguel Moreno, Matija Zlatar, Maja Gruden-Pavlović
"A Practical Computational Approach to Study Molecular Instability Using the Pseudo-Jahn–Teller Effect"
J. Chem. Theory Comput. 2014, 10, 1824-1833
[abstract]
DOI: 10.1021/ct4011097
M. Gruden-Pavlović, S. Stepanović, M. Perić, M. Güell, M. Swart
"A density functional study of the spin state energetics of polypyrazolylborato complexes of first-row transition metals"
Phys. Chem. Chem. Phys. 2014, 16, 14514-14522
[abstract]
DOI: 10.1039/c3cp55488k
Maja Gruden-Pavlović, Marko Perić, Matija Zlatar, Pablo García-Fernández
"Theoretical study of the magnetic anisotropy and magnetic tunnelling in mononuclear Ni(ii) complexes with potential molecular magnet behavior"
Chem. Sci. 2014, 5, 1453-1462
[abstract]
DOI: 10.1039/C3SC52984C
Stepan Stepanović, Ljubica Andjelković, Matija Zlatar, Katarina Andjelković, Maja Gruden-Pavlović, Marcel 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. 2013, 52, 13415-13423
[abstract]
DOI: 10.1021/ic401752n
Matija Zlatar, Maja Gruden-Pavlović, Mireia Güell, Marcel 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. 2013, 15, 6631-6639
[abstract]
DOI: 10.1039/c2cp43735j
