Maja Gruden
www.mendeley.com
0000-0002-0746-5754
University of Belgrade Faculty of Chemistry
56 papers found
Refreshing results…
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?
Exploring the applicability of density functional tight binding to transition metal ions. Parameterization for nickel with the spin‐polarized DFTB3 model
Rotating Iron and Titanium Sandwich Complexes
Benchmarking density functional tight binding models for barrier heights and reaction energetics of organic molecules
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
The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O2
Spinning around in Transition-Metal Chemistry
Theoretical study of nitrodibenzofurans: A possible relationship between molecular properties and mutagenic activity
Substituted naphthalenes: Stability, conformational flexibility and description of bonding based on ETS-NOCV method
Decarbonylative Dibromination of 5-Phenylthiophene-2-carbaldehyde with Bromine
Gold(I)-Catalyzed Domino Cyclizations of Diynes for the Synthesis of Functionalized Cyclohexenone Derivatives. Total Synthesis of (−)-Gabosine H and (−)-6-epi-Gabosine H
Origin of the Zero-Field Splitting in Mononuclear Octahedral MnIV Complexes: A Combined Experimental and Theoretical Investigation
Challenges in assignment of orbital populations in a high spin manganese(III) complex
Resolving the origin of the multimode Jahn–Teller effect in metallophthalocyanines
Unique mononuclear MnIIcomplexes of an end-off compartmental Schiff base ligand: experimental and theoretical studies on their bio-relevant catalytic promiscuity
Application of Density Functional and Density Functional Based Ligand Field Theory to Spin States
Assessment of TD-DFT and LF-DFT for study of d - D transitions in first row transition metal hexaaqua complexes
Density functional theory study of the multimode Jahn-Teller problem in the open-shell corannulenes and coronenes
Experimental and theoretical investigation of octahedral and square-planar isothiocyanato complexes of Ni(II) with acylhydrazones of 2-(diphenylphosphino)benzaldehyde
Magnetic Anisotropy in “Scorpionate” First‐Row Transition‐Metal Complexes: A Theoretical Investigation
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