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Spectroscopic and quantum chemical investigations of substituent effects on the azo-hydrazone tautomerism and acid-base properties of arylazo pyridone dyes.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.Benchmarking density functional tight binding models for barrier heights and reaction energetics of organic molecules.General treatment of the multimode Jahn-Teller effect: study of fullerene cations.Resolving the origin of the multimode Jahn-Teller effect in metallophthalocyanines.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.Experimental and Theoretical Identification of the Origin of Magnetic Anisotropy in Intermediate Spin Ground State Iron(III) Complexes.Quantitative structure-activity relationship analysis of substituted arylazo pyridone dyes in photocatalytic system: Experimental and theoretical study.A simple monomer-based model-Hamiltonian approach to combine excitonic coupling and Jahn-Teller theory.Density functional theory for the study of the multimode Jahn-Teller effect.Dissociative electron attachment and electronic excitation in Fe(CO)5.Origin of the Zero-Field Splitting in Mononuclear Octahedral Mn(IV) Complexes: A Combined Experimental and Theoretical Investigation.Assessment of TD-DFT and LF-DFT for study of d - d transitions in first row transition metal hexaaqua complexes.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.Lipophilicity assessment of ruthenium(II)-arene complexes by the means of reversed-phase thin-layer chromatography and DFT calculations.Application of Density Functional and Density Functional Based Ligand Field Theory to Spin StatesSynthesis of endoperoxides by domino reactions of ketones and molecular oxygenThe Irony of Manganocene: An Interplay between the Jahn–Teller Effect and Close-Lying Electronic and Spin StatesDensity functional theory study of the multimode Jahn–Teller problem in the open-shell corannulenes and coronenesMagnetic Anisotropy in “Scorpionate” First-Row Transition-Metal Complexes: A Theoretical InvestigationNucleus-independent chemical shift profiles along the intrinsic distortion path for Jahn-Teller active molecules. Study on cyclopentadienyl radical and cobaltoceneA Practical Computational Approach to Study Molecular Instability Using the Pseudo-Jahn–Teller EffectDFT investigation of the influence of Jahn–Teller distortion on the aromaticity in square-planar arsenic and antimony clustersTheoretical study of the magnetic anisotropy and magnetic tunnelling in mononuclear Ni(ii) complexes with potential molecular magnet behaviorDensity functional theory study of the multimode Jahn-Teller problem in the fullerene anionSpherical aromaticity of Jahn–Teller active fullerene ionsThe choice of the exchange-correlation functional for the determination of the jahn-teller parameters by the density functional theoryDensity functional theory study of the magnetic coupling interaction in a series of binuclear oxalate complexesKinetics, mechanism, and DFT calculations of thermal degradation of a Zn(II) complex with N-benzyloxycarbonylglycinato ligandsMagnetic couplings mediated through the non-covalent interactionsMagnetic criteria of aromaticity in a benzene cation and anion: how does the Jahn–Teller effect influence the aromaticity?Computational analysis of tris(1,2-ethanediamine) cobalt(III) complex ion: calculation of the 59Co shielding tensor using LF-DFTDFT and MM description of the structure and magnetic properties of manganese complexes with X-phenylcyanamido bridging ligandTreatment of the Multimode Jahn–Teller Problem in Small Aromatic RadicalsConsistent force field for metalloporphyrinsDFT study of the Jahn–Teller effect in Cu(II) chelate complexesIntrinsic Distortion Path in the analysis of the Jahn–Teller effectMolecular Mechanics Study of Nickel(II) Octaethylporphyrin Adsorbed on Graphite(0001)Highly-efficient N-arylation of imidazole catalyzed by Cu(II) complexes with quaternary ammonium-functionalized 2-acetylpyridine acylhydrazoneStructural aspects of 4-aminoquinolines as reversible inhibitors of human acetylcholinesterase and butyrylcholinesterase
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wetenschapper
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հետազոտող
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M Zlatar
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M Zlatar
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Matija Zlatar
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Matija Zlatar
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Matija Zlatar
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Matija Zlatar
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P106
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20735959400
P21
P31
P496
0000-0002-3809-0940