J. Kortus

J. Kortus, M. Pederson, D. Porezag, 1998, Conference Proceedings. 1998 International Conference on Indium Phosphide and Related Materials (Cat. No.98CH36129).

Synthesis, structure, magnetic and catalytic properties of new dinuclear chromium(III) complexes with oxazoline alcoholate ligands.

J. Kortus, P. Braunstein, G. Rogez, 2009, Dalton transactions.

Correlation between the residual stress and the density of threading dislocations in GaN layers grown by hydride vapor phase epitaxy

J. Kortus, M. Motylenko, D. Rafaja, 2014 .

Stretched or noded orbital densities and self-interaction correction in density functional theory.

Susi Lehtola, Tunna Baruah, Sebastian Schwalbe, 2019, The Journal of chemical physics.

Self-consistent self-interaction corrected density functional theory calculations for atoms using Fermi-Löwdin orbitals: Optimized Fermi-orbital descriptors for Li-Kr.

Torsten Hahn, Jens Kortus, Der-You Kao, 2017, The Journal of chemical physics.

The Role of Self-Interaction Corrections, Vibrations, and Spin-Orbit in Determining the Ground Spin State in a Simple Heme

J. Kortus, M. Pederson, D. Kao, 2017 .

NiII formate complexes with bi- and tridentate nitrogen-donor ligands: synthesis, characterization, and magnetic and thermal properties.

Sebastian Schwalbe, Kai Trepte, Jens Kortus, 2017, Dalton transactions.

Heat capacity of η-AlFe (Fe2Al5)

J. Kortus, T. Weissbach, O. Fabrichnaya, 2016 .

Magnetic superexchange interactions: trinuclear bis(oxamidato) versus bis(oxamato) type complexes.

J. Kortus, T. Rüffer, A. Petr, 2015, Dalton transactions.

An interplay between the spin density distribution and magnetic superexchange interactions: a case study of mononuclear [(n)Bu4N]2[Cu(opooMe)] and novel asymmetric trinuclear [Cu3(opooMe)(pmdta)2](NO3)2·3MeCN.

J. Kortus, T. Rüffer, A. Petr, 2012, Dalton transactions.

Synthesis and properties of new 9,10-anthraquinone derived compounds for molecular electronics

J. Kortus, E. Weber, T. Hahn, 2013 .

Electronic states and the influence of oxygen addition on the optical absorption behaviour of manganese phthalocyanine.

J. Kortus, M. Knupfer, D. Zahn, 2012, The Journal of chemical physics.

Crystal Growth, Structure, and Transport Properties of the Charge-Transfer Salt Picene/2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane

J. Kortus, M. Knupfer, B. Büchner, 2014 .

Structural stability and thermoelectric performance of high quality synthetic and natural pyrites (FeS2).

J. Kortus, C. Hennig, I. Veremchuk, 2019, Dalton transactions.

Ferroelastic domain identification in BiFeO3 crystals using Raman spectroscopy

J. Kortus, M. Alexe, C. Himcinschi, 2019, Scientific Reports.

Raman spectroscopic investigations of epitaxial BiFeO3 thin films on rare earth scandate substrates

J. Kortus, C. Himcinschi, A. Talkenberger, 2015 .

Pressure dependence of electron-phonon coupling and superconductivity in hcp Fe : A linear response study

S. K. Bose, J. Kortus, O. K. Andersen, 2002, cond-mat/0207318.

Phthalocyanine dimers in a blend: spectroscopic and theoretical studies of MnPc(δ +)/F(16)CoPc(δ -).

J. Kortus, M. Knupfer, F. Roth, 2013, The Journal of chemical physics.

Hybrid states and charge transfer at a phthalocyanine heterojunction: MnPc(δ+)/F16CoPc(δ-).

J. Kortus, M. Knupfer, R. Friedrich, 2012, Physical review letters.

Thermally Induced Formation of Transition Aluminas from Boehmite

J. Kortus, C. Aneziris, A. Schmidt, 2017 .

Synthesis and characterization of calcium zirconate nanofibers produced by electrospinning

J. Kortus, E. Storti, C. Aneziris, 2019, Journal of the European Ceramic Society.

Raman spectroscopic studies of LixSiy compounds

J. Kortus, Daniel Thomas, F. Mertens, 2013 .

Unexpected Phonon Behaviour in BiFexCr1−xO3, a Material System Different from Its BiFeO3 and BiCrO3 Parents

J. Kortus, C. Himcinschi, A. Belik, 2022, Nanomaterials.

Reaction Sintering of MgAlON at 1500 °C from Al2O3, MgO and AlN and Its Wettability by AlSi7Mg

C. Scharf, J. Kortus, C. Aneziris, 2022, Crystals.

Interface reactions between rutile coatings and molten aluminium or AlSi7Mg0.6 alloy

J. Kortus, M. Motylenko, O. Fabrichnaya, 2018, Journal of the European Ceramic Society.

Theory of incompletely isovalent -doped semiconductors

J. Kortus, J. Monecke, 1997 .

Band filling and interband scattering effects in MgB2: carbon versus aluminum doping.

J. Kortus, R. Kremer, O. Dolgov, 2004, Physical review letters.

Magnetic properties of X0.5Mn0.5/Cu(001) overlayers, X = Fe, Mn, and Ir: ab-initio calculations

J. Kortus, B. Hamad, 2010 .

Influence of cage structures on the vibrational modes and Raman activity of methane

J. Kortus, M. Pederson, J. Monecke, 2000 .

Magnetic moment and anisotropy in FenCom clusters

J. Kortus, S. Khanna, M. Pederson, 2002 .

First-principles DFT study of the structural, electronic and vibrational properties of azidopentazole

J. Kortus, M. Pederson, S. L. Richardson, 2001 .

Superconductivity of metallic boron in MgB2.

J. Kortus, K. Belashchenko, I. Mazin, 2001, Physical review letters.

Crossed graphene: Stability and electronic structure

J. Kortus, T. Weissbach, Silvia Bahmann, 2013 .

On the possibility of hercynite formation in a solid state reaction at the Al2O3–iron interface: A density-functional theory study

J. Kortus, C. Aneziris, T. Weissbach, 2014 .

Low thermal conductivity in bournonite PbCuSbS3 : A comprehensive study

J. Kortus, R. Cardoso‐Gil, C. Himcinschi, 2022, Physical Review B.

Raman spectroscopic characterization of novel carbon-bonded filter compositions for steel melt filtration

J. Kortus, C. Aneziris, S. Dudczig, 2014 .

Interpretation of the de Haas–van Alphen experiments in MgB 2

J. Kortus, I. Mazin, 2002, cond-mat/0201247.

Studies of an enneanuclear manganese single-molecule magnet.

W. Wernsdorfer, J. Kortus, H. Güdel, 2005, Journal of the American Chemical Society.

Magnetic exchange interaction in triply bridged dinickel(II) complexes

J. Kortus, E. Ruiz, B. Kersting, 2008 .

Structure, electronic density of states and electric field gradients of icosahedral AlCuFe: An ab initio study of the original and a modified Cockayne model

S. K. Bose, J. Kortus, M. Krajčí, 2004 .

Synthesis and Structural Characterization of Ethynylene‐Bridged Bisazines Featuring Various α‐Substitution

J. Kortus, T. Gruber, E. Weber, 2015 .

High pressure induced spin changes and magneto-structural correlations in hexametallic SMMs.

J. Kortus, S. Moggach, J. Warren, 2009, Dalton transactions.

Density functional studies of molecular magnets

J. Kortus, A. Postnikov, M. Pederson, 2006 .

How to build molecules with large magnetic anisotropy.

Frank Neese, Jens Kortus, Santiago Alvarez, 2009, Chemistry.

Di- and Triferrocenyl (Hetero)Aromatics: Synthesis, Characterization, (Spectro-)Electrochemistry, and Calculations

J. Kortus, H. Lang, Alexander Hildebrandt, 2012 .

Binuclear nickel complexes with an edge sharing bis(square-pyramidal) N3Ni(μ-S2)NiN3 core: synthesis, characterization, crystal structure and magnetic properties.

J. Kortus, U. Lehmann, B. Kersting, 2013, Dalton transactions.

Stabilization of hypophosphite in the binding pocket of a dinuclear macrocyclic complex: synthesis, structure, and properties of [Ni(2)L(μ-O(2)PH(2))]BPh(4) (L = N(6)S(2) donor ligand).

J. Kortus, B. Kersting, C. Loose, 2012, Inorganic chemistry.

Preparation and Characterisation of Dinuclear Nickel(II) Complexes Containing N3Ni(μ1,3-SO3R)2(μ-O2CR)NiN3 Cores: Crystal Structures and Magnetic Properties of [Ni2(L2)(O2CCH3)]BPh4 and [Ni2(L2)(O2CPh)]BPh4 [H2L2 = Macrocyclic Ligand with a N6(SO3)2 Donor Set]†

J. Kortus, B. Kersting, J. Lach, 2012 .

Redox-Active Ferrocene as a Tuning Functionality for Magnetic Superexchange Interactions of Bis(oxamato) Type Complexes

J. Kortus, T. Rüffer, A. Petr, 2013 .

Novel Cr(III) dinuclear complexes supported by salicyloylhydrazono dithiolane and dithiane ligands: synthesis, stability, crystal structures and magnetic properties.

J. Kortus, R. Welter, G. Rogez, 2010, Dalton transactions.

Single-molecule magnet Fe9 supramolecular dimers: a theoretical approach to intramolecular and intermolecular exchange interactions.

J. Kortus, Silvia Gómez-Coca, E. Ruiz, 2009, Chemical communications.

Very strong ferromagnetic interaction in a new binuclear mu-methoxo-bridged Mn(III) complex: synthesis, crystal structure, magnetic properties, and DFT calculations.

J. Kortus, R. Welter, G. Rogez, 2006, Journal of the American Chemical Society.

Screening for high-spin metal organic frameworks (MOFs): density functional theory study on DUT-8(M1,M2) (with Mi = V,…,Cu).

Sebastian Schwalbe, Kai Trepte, Jens Kortus, 2016, Physical Chemistry, Chemical Physics - PCCP.

Synthesis and characterization of new derivatives of azulene, including experimental and theoretical studies of electronic and spectroscopic behavior

Torsten Hahn, Jens Kortus, Wilhelm Seichter, 2012 .

Optical and magneto-optical properties of metal phthalocyanine and metal porphyrin thin films

J. Kortus, D. Zahn, C. Martín, 2014, Journal of physics. Condensed matter : an Institute of Physics journal.

Anisotropic superconductivity and quantum oscillations in the layered dichalcogenide TaSnS2

J. Kortus, M. Naumann, M. Baenitz, 2020 .

Multiband model for tunneling in MgB2 junctions

H. Rogalla, J. Kortus, O. K. Andersen, 2001, cond-mat/0111115.

Band dispersion of MgB2, graphite and diamond from resonant inelastic scattering

L. D. Finkelstein, J. Kortus, A. Moewes, 2003 .

Innovative carbon-bonded filters based on a new environmental-friendly binder system for steel melt filtration

J. Kortus, E. Storti, C. Aneziris, 2018, Journal of the European Ceramic Society.

Powder-X-ray diffraction analysis of the crystal structure of the η′-Al8Fe3 (η′-Al2.67Fe) phase

J. Kortus, A. Leineweber, H. Becker, 2017 .

First Principles Calculation of the Thermal Volume Expansion Coefficient of Tetragonal Zircon Dioxide

J. Kortus, S. Lamowski, S. Schmerler, 2011 .

Systematic study of the influence of different equations of states on the calculation of elastic properties†

J. Kortus, C. Loose, 2013 .

Formation and properties of rocksalt-type AlN and implications for high pressure phase relations in the system Si–Al–O–N

J. Kortus, T. Schlothauer, G. Heide, 2014 .

Ab initiostudy of AlN: Anisotropic thermal expansion, phase diagram, and high-temperature rocksalt to wurtzite phase transition

J. Kortus, S. Schmerler, 2014 .

Testing Self‐Interaction Correction for Molecules in Solution

J. Kortus, K. Trepte, Sebastian Schwalbe, 2021, Advanced Engineering Materials.

Pressure-dependent structural and electronic properties of quasi-one-dimensional (TMTTF)2PF6

J. Kortus, M. Dressel, M. Hanfland, 2013, Journal of physics. Condensed matter : an Institute of Physics journal.

Phonon polaritons in uniaxial crystals: A Raman scattering study of polaritons inα-GaN

J. Kortus, C. Himcinschi, G. Irmer, 2013 .

Addressing the metal centers of [2x2] CoII4 grid-type complexes by STM/STS.

Jens Kortus, Mario Ruben, Jean-Marie Lehn, 2005, Angewandte Chemie.

Beyond Eliashberg superconductivity in MgB2: anharmonicity, two-phonon scattering, and multiple gaps.

J Kortus, J. Kortus, A. Liu, 2001, Physical review letters.

Beyond Eliashberg Superconductivity in MgB2

Jens Kortus, I. I. Mazin, J. Kortus, 2001 .

STM spectroscopy of magnetic molecules

J. Kortus, A. Postnikov, J. Lehn, 2009 .

Specific heat of MgB2 in a one- and a two-band model from first-principles calculations

J. Kortus, Y. Kong, B. Gibson, 2001, cond-mat/0111262.

de Haas-van Alphen effect investigation of the electronic structure of Al-substituted MgB2

L. Balicas, J. Kortus, J. Cooper, 2005, cond-mat/0504664.

Band filling and interband scattering effects in MgB2: carbon versus aluminum doping.

J. Kortus, R. Kremer, O. Dolgov, 2004, Physical review letters.

Superconductivity in MgB2: clean or dirty?

J. Kortus, D. van der Marel, I. Mazin, 2002, Physical review letters.

Current progress in the theoretical understanding of MgB2

J. Kortus, 2007 .

Extraction of the electron-phonon interaction from tunneling data in the multigap superconductor MgB2

J. Kortus, O. Dolgov, S. Shulga, 2003, cond-mat/0301542.

Multiband model for penetration depth in MgB2

J. Kortus, O. Dolgov, A. Golubov, 2002, cond-mat/0205154.

Raman tensor elements and Faust-Henry coefficients of wurtzite-type α-GaN: How to overcome the dilemma of the sign of Faust-Henry coefficients in α-GaN?

J. Kortus, C. Himcinschi, G. Irmer, 2014 .

Normal and superconducting state properties of B-doped diamond from first-principles

L. Boeri, J. Kortus, Ole Krogh Andersen, 2006 .

Electron–phonon superconductivity in hole-doped diamond: A first-principles study

L. Boeri, J. Kortus, O. Andersen, 2006 .

Thermodynamics of two-band superconductors : The case of MgB2

J. Kortus, R. Kremer, O. Dolgov, 2005, cond-mat/0502659.

Interpretation and Automatic Generation of Fermi‐Orbital Descriptors

Sebastian Schwalbe, Kai Trepte, Lenz Fiedler, 2019, J. Comput. Chem..

The determination of the electron–phonon interaction from tunneling data in the two-band superconductor MgB2

J. Kortus, O. Dolgov, S. Shulga, 2003, cond-mat/0305563.

Optical properties of epitaxial BiFeO3 thin films grown on LaAlO3

J. Kortus, D. Zahn, M. Alexe, 2015 .

Thermodynamic characterization of lithium monosilicide (LiSi) by means of calorimetry and DFT-calculations

Sebastian Schwalbe, Jens Kortus, Jürgen Seidel, 2017 .

Symmetry Breaking within Fermi-Löwdin Orbital Self-Interaction Corrected Density Functional Theory.

J. Kortus, M. Pederson, Sebastian Schwalbe, 2017, Journal of chemical theory and computation.

Strategies for massively parallel local-orbital-based electronic structure methods

Jens Kortus, Mark R. Pederson, Dirk V. Porezag, 2000 .

Density functional-based prediction of the electronic, structural, and vibrational properties of the energetic molecule: octanitrocubane

J. Kortus, M. Pederson, S. L. Richardson, 2000 .

Electronic and magnetic properties of Co_n Mo_m nanoclusters with n+m = x and 2<=x<=6 atoms from DFT calculations

J. Kortus, C. Martín, K. Trepte, 2014, 1404.6170.

Formation of Schottky-type metal/SrTiO3 junctions and their resistive properties

J. Kortus, M. Zschornak, D. Meyer, 2010 .

Raman Spectroscopic Characterization of Environmentally Friendly Binder Systems for Carbon‐Bonded Filters

J. Kortus, C. Himcinschi, J. Kraus, 2021, Advanced Engineering Materials.

Optical and magneto-optical study of nickel and cobalt ferrite epitaxial thin films and submicron structures

J. Kortus, D. Zahn, C. Himcinschi, 2013 .

Magnetic ordering, electronic structure, and magnetic anisotropy energy in the high-spin Mn 10 single molecule magnet

J. Kortus, N. Bernstein, M. Pederson, 2002, cond-mat/0204479.

Fermi‐Löwdin orbital self‐interaction corrected density functional theory: Ionization potentials and enthalpies of formation

Sebastian Schwalbe, Kai Trepte, Torsten Hahn, 2018, J. Comput. Chem..

Charge transfer from and to manganese phthalocyanine: bulk materials and interfaces

J. Kortus, M. Knupfer, B. Büchner, 2017, Beilstein journal of nanotechnology.

Theoretical and experimental investigations of 129Xe NMR chemical shift isotherms in metal-organic frameworks.

Sebastian Schwalbe, Kai Trepte, Jens Kortus, 2018, Physical chemistry chemical physics : PCCP.

Antiferromagnetism in bulk Zn1−xCoxO magnetic semiconductors prepared by the coprecipitation technique

J. Kortus, A. Dinia, M. Bouloudenine, 2005 .

Three-dimensional MgB2-type superconductivity in hole-doped diamond.

L. Boeri, J. Kortus, O. Andersen, 2004, Physical review letters.

Where are the electrons?

J. Kortus, 2005, Nature materials.

Direct observation of the tunneling channels of a chemisorbed molecule

W. Hofer, Deung-Jang Choi, T. Brumme, 2010 .

Nucleation of GaN on sapphire substrates at intermediate temperatures by Hydride Vapor Phase Epitaxy

J. Kortus, D. Rafaja, U. Mühle, 2012 .

Dynamical identification of a threshold instability in Si-doped heterofullerenes.

J. Kortus, J. Parlebas, C. Massobrio, 2006, Physical review letters.

Bond formation insights into the Diels-Alder reaction: A bond perception and self-interaction perspective.

A. Croy, S. Gräfe, J. Kortus, 2023, The Journal of chemical physics.

Chemical bonding theories as guides for self-interaction corrected solutions: Multiple local minima and symmetry breaking.

S. Lehtola, J. Kortus, A. Ivanov, 2021, The Journal of chemical physics.

Phonons in SiAs: Raman scattering study and DFT calculations

J. Kortus, O. Pätzold, G. Irmer, 2011 .

Mechanical, elastic and thermodynamic properties of crystalline lithium silicides

Sebastian Schwalbe, Kai Trepte, Jens Kortus, 2016, 1610.08991.

Ferroelastic domain identification in BiFeO3 crystals using Raman spectroscopy

J. Kortus, M. Alexe, C. Himcinschi, 2019, Scientific Reports.

EVO - Evolutionary algorithm for crystal structure prediction

Jens Kortus, Silvia Bahmann, J. Kortus, 2013, Comput. Phys. Commun..

Thermodynamic investigation of the τ4-Al–Fe–Si intermetallic ternary phase: A density-functional theory study

J. Kortus, T. Weissbach, O. Fabrichnaya, 2014 .

Raman spectroscopic characterization of epitaxially grown GaN on sapphire

J. Kortus, M. Abendroth, C. Himcinschi, 2013 .

PHONON SIDEBANDS OF ELECTRONIC TRANSITIONS IN LI-DOPED CDS

J. Kortus, P. Verma, K. Jain, 1999 .

Electronic properties of the charge transfer material MnPc/F4TCNQ

J. Kortus, M. Knupfer, B. Büchner, 2016 .

Magnetic response of (Cr,Al,Si)N nanocrystallites on the microstructure of Cr—Al—Si—N nanocomposites

J. Kortus, V. Klemm, D. Rafaja, 2010 .

Molecular magnets explored by density functional theory calculations

J. Kortus, 2007 .

Electronic structure and transport properties of coupled CdS/ZnSe quantum dots

A. Chakraborty, J. Kortus, I. Dasgupta, 2019, Journal of physics. Condensed matter : an Institute of Physics journal.

Analytic atomic gradients in the fermi‐löwdin orbital self‐interaction correction

Koblar A. Jackson, Tunna Baruah, Sebastian Schwalbe, 2018, J. Comput. Chem..

Magnetic and vibrational properties of the uniaxial Fe 13 O 8 cluster

Jens Kortus, Mark R. Pederson, J. Kortus, 2000 .

Spectroscopic Characterization of Rocksalt-Type Aluminum Nitride

J. Kortus, K. Keller, G. Heide, 2015 .

Hamiltonian of the V15 spin system from first-principles density-functional calculations.

C. Hellberg, J. Kortus, M. Pederson, 2001, Physical Review Letters.

Density functional studies of single molecule magnets

Tunna Baruah, Noam Bernstein, Jens Kortus, 2003 .

Ab initio Simulations of Fe-based Ferric Wheels

J. Kortus, A. Postnikov, Stuttgart, 2003, cond-mat/0307292.

Intramolecular fixation of t-butyl groups in thiolactim ethers influencing molecular conformation and the packing behavior

J. Kortus, T. Gruber, E. Weber, 2015 .

Fourth-order magnetic anisotropy and tunnel splittings in Mn(12) from spin-orbit-vibron interactions.

J. Kortus, N. Bernstein, M. Pederson, 2002, Physical review letters.

Raman spectra and dielectric function of BiCrO3: Experimental and first-principles studies

J. Kortus, D. Zahn, C. Himcinschi, 2011 .

A gate controlled molecular switch based on picene-F₄TCNQ charge-transfer material.

J. Kortus, T. Hahn, S. Liebing, 2014, Nanoscale.

Ab initio electronic structure and optical conductivity of bismuth tellurohalides

Sebastian Schwalbe, Jens Kortus, J. Kortus, 2016, 1607.06693.

Theoretical calculations of magnetic order and anisotropy energies in molecular magnets

J. Kortus, S. Khanna, M. Pederson, 2000 .

Electronic-structure-based investigation of magnetism in the Fe8 molecular magnet

Jens Kortus, Mark R. Pederson, Shiv N. Khanna, 2002 .

Interactions between Exogenous Spinel Inclusions with Endogenous Inclusions in a Steel Melt

J. Kortus, C. Aneziris, M. Emmel, 2013 .

Comment on "First-principles calculation of the superconducting transition in MgB2 within the anisotropic Eliashberg formalism"

J. Kortus, I. Mazin, O. Dolgov, 2002, cond-mat/0212417.

On the possibility of a hetero-epitaxial Fe/ZrO2 interface: a density-functional-theory point of view

J. Kortus, D. Rafaja, J. Kutzner, 2012 .

Electronic structure, transport, and collective effects in molecular layered systems

J. Kortus, C. Timm, T. Hahn, 2017, Beilstein journal of nanotechnology.

Investigation of GaN layers grown by high temperature vapor phase epitaxy

J. Kortus, D. Rafaja, G. Schreiber, 2014 .

Structural, Electronic, and Magnetic Properties of MnO

C. Hellberg, J. Kortus, J. Pask, 2000, cond-mat/0012340.

Electronic structure, magnetic ordering and phonons in molecules and solids

J. Kortus, 2003 .

Identification of the electronic states of manganese phthalocyanine close to the Fermi level

J. Kortus, M. Knupfer, C. Loose, 2011 .

DFT studies of the molecular nanomagnet Fe8 and the V15 spin system

C. Hellberg, J. Kortus, S. Khanna, 2001 .

Understanding the electronic structure, optical, and vibrational properties of the Fe 8 Br 8 single-molecule magnet

Tunna Baruah, Jens Kortus, Mark R. Pederson, 2004 .

Density functional studies of molecular magnets

J. Kortus, A. Postnikov, M. Pederson, 2006 .

Magnetism in Free Clusters and in Mn12O12-Acetate Nanomagnets

J. Kortus, S. Khanna, M. Pederson, 2003 .

Stretched or noded orbital densities and self-interaction correction in density functional theory.

S. Lehtola, J. Perdew, A. Ruzsinszky, 2019, The Journal of chemical physics.