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Browsing by Author Gruden-Pavlović, Maja
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| Issue Date | Title | Author(s) | Type | М-cat. |
|---|---|---|---|---|
| 2014 | A density functional study of the spin state energetics of polypyrazolylborato complexes of first-row transition metals | Gruden-Pavlović, Maja   ; Stepanović, Stepan ; Perić, Marko ; Gueell, Mireia; Swart, Marcel | Article | 21M21 |
| 2017 | A Glimpse into the Ligand Field Theory from Density Functional Perspective (✓) | Zlatar, Matija ; Gruden, Maja | Conference Paper | Mp. category will be shown later |
| 2018 | A Non-Heme Iron Photocatalyst for Light-Driven Aerobic Oxidation of Methanol | Chen, Juan; Stepanović, Stepan ; Draksharapu, Apparao; Gruden-Pavlović, Maja ; Browne, Wesley R. | Article | 21aM21a |
| 2014 | A Practical Computational Approach to Study Molecular Instability Using the Pseudo-Jahn-Teller Effect (✓) | Garcia-Fernandez, Pablo; Antonio Aramburu, Jose; Moreno, Miguel; Zlatar, Matija ; Gruden-Pavlović, Maja | Article | 21aM21a |
| 2013 | A simple monomer-based model-Hamiltonian approach to combine excitonic coupling and Jahn-Teller theory (✓) | Garcia-Fernandez, Pablo; Anđelković, Ljubica ; Zlatar, Matija ; Gruden-Pavlović, Maja ; Dreuw, Andreas | Article | 21M21 |
| 2016 | Analysis of the Jahn-Teller effect in organic and inorganic systems (✓) | Anđelković, Ljubica ; Zlatar, Matija ; Gruden, Maja | Conference Paper | Mp. category will be shown later |
| 2015 | Application of Density Functional and Density Functional Based Ligand Field Theory to Spin States (✓) | Daul, Claude; Zlatar, Matija ; Gruden-Pavlović, Maja ; Swart, Marcel | Book parts | Mp. category will be shown later |
| 2020 | Assessment of density functional approximations for calculation of exchange coupling constants in thiocyanato and cyanato double bridged binuclear Ni(II) complexes (✓) | Zlatar, Matija ; Vlahović, Filip ; Mitić, Dragana ; Zlatović, Mario ; Gruden, Maja | Article | 23M23 |
| 2015 | Assessment of TD-DFT and LF-DFT for study of d - d transitions in first row transition metal hexaaqua complexes (✓) | Vlahović, Filip ; Perić, Marko ; Gruden-Pavlović, Maja ; Zlatar, Matija | Article | 21M21 |
| 2017 | Benchmarking density functional tight binding models for barrier heights and reaction energetics of organic molecules (✓) | Gruden, Maja ; Anđelković, Ljubica ; Jissy, Akkarapattiakal Kuriappan; Stepanović, Stepan ; Zlatar, Matija ; Cui, Qiang; Elstner, Marcus | Article | 21M21 |
| 2019 | Calculation of the Jahn-Teller parameters with DFT (✓) | Zlatar, Matija ; Gruden, Maja | Article | 23M23 |
| 2016 | Challenges in assignment of orbital populations in a high spin manganese(III) complex | Fitzpatrick, Anthony J.; Stepanović, Stepan ; Mueller-Bunz, Helge; Gruden-Pavlović, Maja ; Garcia-Fernandez, Pablo; Morgan, Grace G. | Article | 21M21 |
| 2012 | Cobalt(II) and cadmium(II) compounds with adamantane-1-sulfonic acid | Đorđević, Milena M.; Jeremić, Dejan ; Anđelković, Katarina K. ; Gruden-Pavlović, Maja ; Divjaković, Vladimir; Šumar-Ristović, Maja ; Brčeski, Ilija | Article | 23M23 |
| 2019 | Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone (✓) | Darmanović, Darinka; Shcherbakov, Igor N.; Duboc, Carole; Spasojević, Vojislav ; Hanžel, Darko; Anđelković, Katarina ; Radanović, Dušanka ; Turel, Iztok; Milenković, Milica R. ; Gruden, Maja ;
Čobeljić, Božidar
; Zlatar, Matija ; | Article | 21M21 |
| 2001 | Complexes of molybdenum(V) and lanthanum(III) with 2 ',2 '''-(2,6-pyridinediyldiethylidene)-dioxamohydrazide (H(2)dapsox) | Anđelković, Katarina K. ; Ivanović-Burmazović, Ivana ; Gruden-Pavlović, Maja ; Niketic, SR | Article | 23M23 |
| 2010 | Composition related properties of (Yb,Y)(2)O-3 nanoparticles synthesized by controlled thermal degradation of AA complexes | Antić, Bratislav ; Kremenović, Aleksandar ; Vučinić-Vasić, M. ; Dohcevic-Mitrovic, Z. ; Nikolić, Aleksandar S. ; Gruden-Pavlović, Maja ; Jancar, B.; Meden, A. | Article | 21M21 |
| 2011 | Computational analysis of tris(1,2-ethanediamine) cobalt(III) complex ion: calculation of the Co-59 shielding tensor using LF-DFT (✓) | Senn, Florian; Zlatar, Matija ; Gruden-Pavlović, Maja ; Daul, Claude | Article | 22M22 |
| 2016 | Computational study of the spin-state energetics in manganese phthalocyanine (✓) | Anđelković, Ljubica ; Zlatar, Matija ; Swart, Marcel; Gruden, Maja | Conference Paper | Mp. category will be shown later |
| 2013 | 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 (✓) | Zlatar, Matija ; Gruden-Pavlović, Maja ; Gueell, Mireia; Swart, Marcel | Article | 21M21 |
| 2019 | Computational Versus Experimental Spectroscopy for Transition Metals | Gruden-Pavlović, Maja ; Browne, Wesley R.; Swart, Marcel; Duboc, Carole | Book parts | Mp. category will be shown later |