Maja Gruden - Dissemin

All papers authored by Maja Gruden

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2019 Tanja Keškić, Božidar Čobeljić

, Maja Gruden

, Katarina Anđelković, Andrej Pevec

, Iztok Turel, Dušanka Radanović, Matija Zlatar

What Is the Nature of Interactions of BF4–, NO3–, and ClO4– to Cu(II) Complexes with Girard’s T Hydrazine? When Can Binuclear Complexes Be Formed?

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2018 Milena Vujović, Mioy Huynh, Sebastian Steiner, Pablo Garcia‐Fernandez, Marcus Elstner, Qiang Cui

, Maja Gruden

Exploring the applicability of density functional tight binding to transition metal ions. Parameterization for nickel with the spin‐polarized DFTB3 model

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2017 Filip Vlahovic, Maja Gruden

, Marcel Swart

Rotating Iron and Titanium Sandwich Complexes

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Maja Gruden

, Ljubica Andjeklović, Akkarapattiakal Kuriappan Jissy, Stepan Stepanović, Matija Zlatar, Qiang Cui

, Marcus Elstner

Benchmarking density functional tight binding models for barrier heights and reaction energetics of organic molecules

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Milena Vujović, Matija Zlatar

, Miloš Milčić, Maja Gruden

in/out Isomerism of cyclophanes: a theoretical account of 2,6,15-trithia-[34,10][7]metacyclophane and [34,10][7]metacyclophane as well as their halogen substituted analogues

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S. Stepanović, D. Angelone

, M. Gruden

, M. Swart

The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O2

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2016 Marcel Swart

, Maja Gruden

Spinning around in Transition-Metal Chemistry

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B. Stanković, B. D. Ostojić, A. Popović, M. А. Gruden

, D. S. Đorđević

Theoretical study of nitrodibenzofurans: A possible relationship between molecular properties and mutagenic activity

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B. Stanković, B. D. Ostojić, M. Gruden

, A. Popović, D. S. Đorđević

Substituted naphthalenes: Stability, conformational flexibility and description of bonding based on ETS-NOCV method

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Igor Opsenica, Vladimir Ajdačić, Stepan Stepanović, Mario Zlatović

, Maja Gruden

Decarbonylative Dibromination of 5-Phenylthiophene-2-carbaldehyde with Bromine

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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

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Matija Zlatar, Maja Gruden

, Olga Yu Vassilyeva, Elena A. Buvaylo, A. N. Ponomarev, S. A. Zvyagin, J. Wosnitza, J. Krzystek, Pablo Garcia-Fernandez, Carole Duboc

Origin of the Zero-Field Splitting in Mononuclear Octahedral MnIV Complexes: A Combined Experimental and Theoretical Investigation

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Anthony Jason Fitzpatrick, Stepan Stepanovic, Helge Müller-Bunz, Maja A. Gruden-Pavlovic

, Pablo Garcia Fernandez, Grace Genevieve Morgan

Challenges in assignment of orbital populations in a high spin manganese(III) complex

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L.-J. Andjelković, S. Stepanović, F. Vlahović, M. Zlatar

, M. Gruden

Resolving the origin of the multimode Jahn–Teller effect in metallophthalocyanines

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Jaydeep Adhikary, Aratrika Chakraborty, Sanchari Dasgupta, Shyamal Kumar Chattopadhyay

, Rafał Kruszynski, Agata Trzesowska-Kruszynska, Stepan Stepanović, Maja Gruden-Pavlović

, Marcel Swart

, Debasis Das

Unique mononuclear MnIIcomplexes of an end-off compartmental Schiff base ligand: experimental and theoretical studies on their bio-relevant catalytic promiscuity

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2015 Claude Daul, Matija Zlatar, Maja Gruden-Pavlović

, Marcel Swart

Application of Density Functional and Density Functional Based Ligand Field Theory to Spin States

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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

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Ljubica Andjelković, Maja Gruden-Pavlović

, Matija Zlatar

Density functional theory study of the multimode Jahn-Teller problem in the open-shell corannulenes and coronenes

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Božidar Čobeljić, Andrej Pevec, Stepan Stepanović, Vojislav Spasojević, Milica Milenković, Iztok Turel, Marcel Swart

, Maja Gruden-Pavlović

, Kawther Adaila, Katarina Anđelković

Experimental and theoretical investigation of octahedral and square-planar isothiocyanato complexes of Ni(II) with acylhydrazones of 2-(diphenylphosphino)benzaldehyde

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Marko Perić

, Amador García-Fuente, Matija Zlatar, Claude Daul, Stepan Stepanović, Pablo García-Fernández, Maja Gruden-Pavlović

Magnetic Anisotropy in “Scorpionate” First‐Row Transition‐Metal Complexes: A Theoretical Investigation

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All papers authored by Maja Gruden