T. Hahn

发表

Fermi orbital self-interaction corrected electronic structure of molecules beyond local density approximation.

Mark R Pederson, J Kortus, J. Kortus, 2015, The Journal of chemical physics.

Systematic theoretical investigation of the phthalocyanine based dimer: MnPcδ+/F16CoPcδ−

J. Kortus, M. Knupfer, C. Loose, 2013 .

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 .

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 .

Electronic properties of 1,2;8,9-dibenzopentacene thin films: A joint experimental and theoretical study

M. Knupfer, F. Roth, T. Hahn, 2012 .

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.

Silicon nano particles: Surface characterization, defects and electronic properties

E. Kroke, T. Hahn, J. Heimfarth, 2008 .

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 .

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.

Interpretation and Automatic Generation of Fermi‐Orbital Descriptors

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

Magnetic Signatures of Hydroxyl‐ and Water‐Terminated Neutral and Tetra‐Anionic Mn12‐Acetate

Mark R Pederson, Torsten Hahn, Javaria Batool, 2019, J. Comput. Chem..

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.

Tunable charge transfer properties in metal-phthalocyanine heterojunctions.

O. Schmidt, M. Knupfer, D. Zahn, 2016, Nanoscale.

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.

Explanation of positive and negative PICTS peaks in SI-GaAs

J. Niklas, B. Gründig-Wendrock, T. Hahn, 2008 .

Contact-free defect investigation of wafer-annealed Fe-doped SI-InP

J. Niklas, T. Hahn, A. Köhler, 2006 .

Contact-free investigation of the EL2-defect in the surface of GaAs wafers

J. Niklas, B. Gründig-Wendrock, T. Hahn, 2004 .

Non Destructive Electrical Defect Characterisation and Topography of Silicon Wafers and Epitaxial Layers

J. Niklas, T. Hahn, K. Dornich, 2005 .

Electronic properties of the charge transfer material MnPc/F4TCNQ

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

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..

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

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

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

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

Thin NiTi Films Deposited on Graphene Substrates

M. Wagner, T. Hahn, T. Hahn, 2017, Shape Memory and Superelasticity.

Simulations of photoconductivity and lifetime for steady state and nonsteady state measurements

N. Schüler, J. Niklas, T. Hahn, 2010 .

Electronic properties of spiro compounds for organic electronics.

M. Knupfer, J. Salbeck, F. Roth, 2012, The Journal of chemical physics.

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.

Theoretical and experimental comparison of contactless lifetime measurement methods for thick silicon samples

N. Schüler, J. Niklas, B. Gründig-Wendrock, 2010 .

Interpretation of lifetime and defect spectroscopy measurements by generalized rate equations

J. Niklas, T. Hahn, S. Schmerler, 2008 .

Versatile Simulation Tool and Novel Measurement Method for Electrical Characterization of Semiconductors

N. Schüler, J. Niklas, T. Hahn, 2009 .