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List of works by Stepan Stepanovic

A Non-Heme Iron Photocatalyst for Light-Driven Aerobic Oxidation of Methanol

scientific article published on 15 January 2018

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

scientific article published on 01 July 2014

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

scientific article published on 24 July 2017

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

scientific article

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

scientific article published on 15 January 2015

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

scientific article published on 12 October 2016

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.

scientific article

Selective Photo-Induced Oxidation with O2 of a Non-Heme Iron(III) Complex to a Bis(imine-pyridyl)iron(II) Complex

scientific article published on 30 March 2018

Spin state relaxation of iron complexes: The case for OPBE and S12g

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

scientific article

Unique mononuclear Mn(II) complexes of an end-off compartmental Schiff base ligand: experimental and theoretical studies on their bio-relevant catalytic promiscuity.

scientific article published on 19 July 2016

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