Lista de obras - Matija Zlatar - Dominio Público Uruguay

A New Method to Describe the Multimode Jahn–Teller Effect Using Density Functional Theory

article by Matija Zlatar et al published 2009 in Springer Series in Chemical Physics

A Practical Computational Approach to Study Molecular Instability Using the Pseudo-Jahn–Teller Effect

artículo científico publicado en 2014

A simple monomer-based model-Hamiltonian approach to combine excitonic coupling and Jahn-Teller theory.

artículo científico publicado en 2013

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

article published in 2015

Assessment of TD-DFT and LF-DFT for study of d - d transitions in first row transition metal hexaaqua complexes

artículo científico publicado en 2015

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

artículo científico publicado en 2017

Computational analysis of tris(1,2-ethanediamine) cobalt(III) complex ion: calculation of the 59Co shielding tensor using LF-DFT

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.

artículo científico publicado en 2013

Configurational, LFDFT and NBO analysis of chromium(III) complexes of edta-type ligands

Consistent force field for metalloporphyrins

DFT and MM description of the structure and magnetic properties of manganese complexes with X-phenylcyanamido bridging ligand

DFT investigation of the influence of Jahn–Teller distortion on the aromaticity in square-planar arsenic and antimony clusters

scholarly article by Marko Perić et al published September 2014 in Polyhedron

DFT study of the Jahn–Teller effect in Cu(II) chelate complexes

Density Functional Theory Study of the Multimode Jahn-Teller Effect – Ground State Distortion of Benzene Cation

Density functional theory calculation of lipophilicity for organophosphate type pesticides

Density functional theory for the study of the multimode Jahn-Teller effect

artículo científico publicado en 2010

Density functional theory study of the Jahn-Teller effect in cobaltocene

Density functional theory study of the magnetic coupling interaction in a series of binuclear oxalate complexes

Density functional theory study of the multimode Jahn-Teller problem in the fullerene anion

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

Dissociative electron attachment and electronic excitation in Fe(CO)5.

artículo científico publicado en 2018

Excited States of Pt(PF3)4 and Their Role in Focused Electron Beam Nanofabrication

Experimental and Theoretical Identification of the Origin of Magnetic Anisotropy in Intermediate Spin Ground State Iron(III) Complexes

artículo científico publicado en 2018

General treatment of the multimode Jahn-Teller effect: study of fullerene cations.

artículo científico publicado en 2013

Highly-efficient N-arylation of imidazole catalyzed by Cu(II) complexes with quaternary ammonium-functionalized 2-acetylpyridine acylhydrazone

Intrinsic Distortion Path in the analysis of the Jahn–Teller effect

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

Lipophilicity assessment of ruthenium(II)-arene complexes by the means of reversed-phase thin-layer chromatography and DFT calculations.

artículo científico publicado en 2014

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

artículo científico publicado en 2015

Magnetic couplings mediated through the non-covalent interactions

article published in 2012

Magnetic criteria of aromaticity in a benzene cation and anion: how does the Jahn–Teller effect influence the aromaticity?

Molecular Mechanics Study of Nickel(II) Octaethylporphyrin Adsorbed on Graphite(0001).

artículo científico publicado en 2007

Nucleus-independent chemical shift profiles along the intrinsic distortion path for Jahn-Teller active molecules. Study on cyclopentadienyl radical and cobaltocene

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

artículo científico publicado en 2016

Quantitative structure-activity relationship analysis of substituted arylazo pyridone dyes in photocatalytic system: Experimental and theoretical study

artículo científico publicado en 2016

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

artículo científico publicado en 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.

artículo científico publicado en 2013

Spectroscopic and quantum chemical investigations of substituent effects on the azo-hydrazone tautomerism and acid-base properties of arylazo pyridone dyes.

artículo científico publicado en 2013

Spherical aromaticity of Jahn–Teller active fullerene ions

Structural aspects of 4-aminoquinolines as reversible inhibitors of human acetylcholinesterase and butyrylcholinesterase

artículo científico publicado en 2019

Synthesis of endoperoxides by domino reactions of ketones and molecular oxygen

scholarly article in RSC Advances, vol. 5 no. 120, 2015

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

artículo científico publicado en 2019

The choice of the exchange-correlation functional for the determination of the jahn-teller parameters by the density functional theory

Theoretical study of the magnetic anisotropy and magnetic tunnelling in mononuclear Ni(ii) complexes with potential molecular magnet behavior

Treatment of the Multimode Jahn–Teller Problem in Small Aromatic Radicals

artículo científico publicado en 2011

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

artículo científico publicado en 2017

Lista de obras de Matija Zlatar

A New Method to Describe the Multimode Jahn–Teller Effect Using Density Functional Theory

A Practical Computational Approach to Study Molecular Instability Using the Pseudo-Jahn–Teller Effect

A simple monomer-based model-Hamiltonian approach to combine excitonic coupling and Jahn-Teller theory.

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

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

Computational analysis of tris(1,2-ethanediamine) cobalt(III) complex ion: calculation of the 59Co shielding tensor using LF-DFT

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.

Configurational, LFDFT and NBO analysis of chromium(III) complexes of edta-type ligands

Consistent force field for metalloporphyrins

DFT and MM description of the structure and magnetic properties of manganese complexes with X-phenylcyanamido bridging ligand

DFT investigation of the influence of Jahn–Teller distortion on the aromaticity in square-planar arsenic and antimony clusters

DFT study of the Jahn–Teller effect in Cu(II) chelate complexes

Density Functional Theory Study of the Multimode Jahn-Teller Effect – Ground State Distortion of Benzene Cation

Density functional theory calculation of lipophilicity for organophosphate type pesticides

Density functional theory for the study of the multimode Jahn-Teller effect

Density functional theory study of the Jahn-Teller effect in cobaltocene

Density functional theory study of the magnetic coupling interaction in a series of binuclear oxalate complexes

Density functional theory study of the multimode Jahn-Teller problem in the fullerene anion

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

Dissociative electron attachment and electronic excitation in Fe(CO)5.

Excited States of Pt(PF3)4 and Their Role in Focused Electron Beam Nanofabrication

Experimental and Theoretical Identification of the Origin of Magnetic Anisotropy in Intermediate Spin Ground State Iron(III) Complexes

General treatment of the multimode Jahn-Teller effect: study of fullerene cations.

Highly-efficient N-arylation of imidazole catalyzed by Cu(II) complexes with quaternary ammonium-functionalized 2-acetylpyridine acylhydrazone

Intrinsic Distortion Path in the analysis of the Jahn–Teller effect

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

Lipophilicity assessment of ruthenium(II)-arene complexes by the means of reversed-phase thin-layer chromatography and DFT calculations.

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

Magnetic couplings mediated through the non-covalent interactions

Magnetic criteria of aromaticity in a benzene cation and anion: how does the Jahn–Teller effect influence the aromaticity?

Molecular Mechanics Study of Nickel(II) Octaethylporphyrin Adsorbed on Graphite(0001).

Nucleus-independent chemical shift profiles along the intrinsic distortion path for Jahn-Teller active molecules. Study on cyclopentadienyl radical and cobaltocene

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

Quantitative structure-activity relationship analysis of substituted arylazo pyridone dyes in photocatalytic system: Experimental and theoretical study

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

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.

Spectroscopic and quantum chemical investigations of substituent effects on the azo-hydrazone tautomerism and acid-base properties of arylazo pyridone dyes.

Spherical aromaticity of Jahn–Teller active fullerene ions

Structural aspects of 4-aminoquinolines as reversible inhibitors of human acetylcholinesterase and butyrylcholinesterase

Synthesis of endoperoxides by domino reactions of ketones and molecular oxygen

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

The choice of the exchange-correlation functional for the determination of the jahn-teller parameters by the density functional theory

Theoretical study of the magnetic anisotropy and magnetic tunnelling in mononuclear Ni(ii) complexes with potential molecular magnet behavior

Treatment of the Multimode Jahn–Teller Problem in Small Aromatic Radicals

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