Kinetics, mechanism, and DFT calculations of thermal degradation of a Zn(II) complex with N-benzyloxycarbonylglycinato ligands

Maja Šumar Ristović , Maja Gruden Pavlović , Matija Zlatar , Vladimir Blagojević
Monatshefte Fur Chemie 143 ( 8) 1133 -1139

4
2012
Theoretical study of nitrodibenzofurans: A possible relationship between molecular properties and mutagenic activity.

B. Stanković , B.D. Ostojić , A. Popović , M.А. Gruden
Journal of Hazardous Materials 318 623 -630

1
2016
Structural characterization of the trans-equatorial isomer of (aqua)(ethylenediamine-N,N,N′-tripropionato)chromium(III) trihydrate,[Cr(edtrp)(H2O)] · 3H2O

Sonja Grubišic , Maja Gruden‐Pavlović , Svetozar R. Niketić , Narumi Sakagami‐Yoshida
Transition Metal Chemistry 28 ( 1) 37 -42

7
2003
Synthesis and structural characterization of copper(II) complexes with the 2′-[1-(2-pyridinyl)ethylidene]oxalohydrazide ligand

Alessia Bacchi , Giancarlo Pelizzi , Dejan Jeremić , Dušan Sladić
Transition Metal Chemistry 28 ( 8) 935 -938

18
2003
Synthesis and in vitro anticancer activity of octahedral platinum(IV) complexes with cyclohexyl-functionalized ethylenediamine-N,N'-diacetate-type ligands.

Jelena M Lazić , Ljubica Vučićević , Sanja Grgurić‐Šipka , Kristina Janjetović
ChemMedChem 5 ( 6) 881 -889

43
2010
A density functional study of the spin state energetics of polypyrazolylborato complexes of first-row transition metals.

M. Gruden-Pavlović , S. Stepanović , M. Perić , M. Güell
Physical Chemistry Chemical Physics 16 ( 28) 14514 -14522

17
2014
Challenges in assignment of orbital populations in a high spin manganese(III) complex

A. J. Fitzpatrick , S. Stepanovic , H. Müller-Bunz , M. A. Gruden-Pavlović
Dalton Transactions 45 ( 15) 6702 -6708

8
2016
Treatment of the multimode Jahn-Teller problem in small aromatic radicals.

Maja Gruden-Pavlović , Pablo García-Fernández , Ljubica Andjelković , Claude Daul
Journal of Physical Chemistry A 115 ( 39) 10801 -10813

15
2011
A Practical Computational Approach to Study Molecular Instability Using the Pseudo-Jahn-Teller Effect.

Pablo Garcia-Fernandez , Jose Antonio Aramburu , Miguel Moreno , Matija Zlatar
Journal of Chemical Theory and Computation 10 ( 4) 1824 -1833

11
2014
Controlling Pd-Catalyzed N-Arylation and Dimroth Rearrangement in the Synthesis of N,1-Diaryl-1H-tetrazol-5-amines

Života Selaković , Igor M. Opsenica , Matija Zlatar , Maja Gruden
Journal of Organic Chemistry 86 ( 6) 4794 -4803

2021
Exploring the applicability of density functional tight binding to transition metal ions. Parameterization for nickel with the spin-polarized DFTB3 model.

Milena Vujović , Mioy Huynh , Sebastian Steiner , Pablo Garcia‐Fernandez
Journal of Computational Chemistry 40 ( 2) 400 -413

6
2019
Benchmarking density functional tight binding models for barrier heights and reaction energetics of organic molecules.

Maja Gruden , Ljubica Andjeklović , Akkarapattiakal Kuriappan Jissy , Stepan Stepanović
Journal of Computational Chemistry 38 ( 25) 2171 -2185

15
2017
The Irony of Manganocene: An Interplay between the Jahn-Teller Effect and Close-Lying Electronic and Spin States.

Stepan Stepanović , Matija Zlatar , Marcel Swart , Maja Gruden
Journal of Chemical Information and Modeling 59 ( 5) 1806 -1810

1
2019
Lewis versus Brønsted Acid Activation of a Mn(IV) Catalyst for Alkene Oxidation.

Jorn D. Steen , Stepan Stepanovic , Mahsa Parvizian , Johannes W. de Boer
Inorganic Chemistry 58 ( 21) 14924 -14930

8
2019
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?

Andrej Pevec , Iztok Turel , Dušanka Radanović , Matija Zlatar
Crystal Growth & Design 19 ( 8) 4810 -4821

3
2019
Origin of the Zero-Field Splitting in Mononuclear Octahedral Mn(IV) Complexes: A Combined Experimental and Theoretical Investigation.

Matija Zlatar , Maja Gruden , Olga Yu Vassilyeva , Elena A. Buvaylo
Inorganic Chemistry 55 ( 3) 1192 -1201

20
2016
Decarbonylative Dibromination of 5-Phenylthiophene-2-carbaldehyde with Bromine

Igor Opsenica , Vladimir Ajdačić , Stepan Stepanović , Mario Zlatović
Synthesis 48 ( 24) 4423 -4430

1
2016
2019
Introduction to ligand field theory and computational chemistry

Matija Zlatar , Maja Gruden
Practical Approaches to Biological Inorganic Chemistry, 2nd Edition 17 -67

1
2020