Internationale Zeitschriften
- W. W. Rudolph and Gert Irmer
Hydration and Ion Pair Formation in Aqueous Lu3+-Solution
Molecules 23 (2018) 3237, 20pp - S. Schwalbe, T. Hahn, S. Liebing, K. Trepte, J. Kortus
Fermi-Löwdin orbital self-interaction corrected density functional theory: Ionization potentials and enthalpies of formation
J. Computational Chem. 39 (2018) 2463 - 2471 - K. Trepte, S. Schwalbe, J. Schaber, S. Krause, I. Senkovska, S. Kaskel, E. Brunner, J. Kortus, G. Seifert
Theoretical and experimental investigations of 129Xe NMR chemical shift isotherms in metal-organic frameworks
Phys. Chem. Chem. Phys. 20 (2018) 25039 - 25043 - I. Plesco, J. Strobel, F. Schütt, C. Himcinschi, N. B. Sedrine, T. Monteiro, M.R. Correia, L. Gorceac, B. Cinic, V. Ursaki, J. Marx, B. Fiedler, Y.K. Mishra, L. Kienle, R. Adelung and I. Tiginyanu
Hierarchical Aerographite 3D flexible networks hybridized by InP micro/nanostructures for strain sensor applications
Scientific Reports 8 (2018) 13880_1-10 - C .Himcinschi, C. Biermann, E. Storti, B. Dietrich, G. Wolf, J. Kortus, C.G. Aneziris
Innovative carbon-bonded filters based on a new environmental-friendly binder system for steel melt filtration
J European Ceramic Society 38 (2018) 5580-5589 - U. Kempe, G. Trullenque, R. Thomas, S. Sergeejv, S. Presnyakov, N. Rodionov, C. Himcinschi
Substitution-induced internal strain and high disorder in weakly radiation damaged hydrothermal zircon from Mt. Malosa, Malawi
European Journal of Mineralogy 30 659-679 - A. Salomon, L. Amirkhanyan, C. Ullrich, M. Motylenko, O. Fabrichnaya, J. Kortus, D. Rafaja
Interface reactions between rutile coatings and molten aluminium or AlSi7Mg0.6 alloy
J European Ceramic Society 38 (2018) 5590-5600 - T. Monecke, J. Monecke, T. J. Reynolds, S. Tsuruoka, M. M. Bennett, W. B. Skewes, R. M. Palin
Quartz Solubility in the H2O-NaCl System: A Framework for Understanding Vein Formation in Phorphyry Copper Deposits
Economic Geology 113 (2018) 1007 - 1046 - G. A. H. Schober and R. Starke
Microscopic theory of refractive index applied to metamaterials: effective current response tensor corresponding to standard relation n2= εeffμeff
European Physical Journal B91 (2018) 146 - M. Barchuk, M. Motylenko, G. Lukin, C. Röder, O. Pätzold, D. Rafaja
Influence of Ammonia flow on microstructural properties of polar GaN layers grown
Cryst. Res. Technol.53 (2018) 1700113 - R. Starke and G. A. H. Schober
Why history matters: Ab initio rederivation of Fresnel equation confirms microscopic theory of refractive index
Optik 198 (2018) 275 - 286
Doktor-, Master-, Bachelorarbeiten
- Lenz Fiedler
Implementation and reassessment of the Fermi-Löwdin orbital self-interaction correction for LDA, GGA and mGGA functionals
Masterarbeit, 08.08.2018 - Simon Brehm
Ramanspectroscopic characterization of AlGaN layers in dependence on Al content and the used substrate
Bachelorarbeit, 08.02.2018
Proceedings
- T. Hahn, S. Schwalbe, S. Liebing, M. Pederson, J. Kortus
Progress in Fermi-Löwdin orbital self-interaction correction to DFT
(O 10.7) DPG conference Berlin, March 11 - 16, 2018
Verhandl. DPG (2018) (Vortrag) - S. Liebing, T. Hahn, J. Kortus
Rectification in molecular charge transfer systems
(O 35.7) DPG conference Berlin, March 11 - 16, 2018
Verhandl. DPG (2018) (Vortrag) - S. Liebing, S. Schwalbe, T. Hahn, J. Kortus
FLO-SIC DFT applied to pseudopotentials
(O 82.8) DPG conference Berlin, March 11 - 16, 2018
Verhandl. DPG (2018) (Poster) - L. Amirkhanyan, H. Nagaraj, J. Kortus
Corundum surface energies from DFT and MD simulations
(O 44.4) DPG conference Berlin, March 11 - 16, 2018
Verhandl. DPG (2018) (Poster) - S. Schwalbe, K. Trepte, J. Kortus
Computational thermodynamics: Meaningful phase diagrams without experimental input?
(MM 27.17) DPG conference Berlin, March 11 - 16, 2018
Verhandl. DPG (2018) (Poster) - S. Schwalbe, K. Trepte, J. Kortus
Metal-organic frameworks (MOFs): mechanical properties, electronic structure and molecular magnetism
(MM 47.3) DPG conference Berlin, March 11 - 16, 2018
Verhandl. DPG (2018) (Poster) - S. Schwalbe, T. Hahn, S. Liebing, K. Trepte, J. Kortus
Towards chemical accuracy of FLO-SIC
(O 82.5) DPG conference Berlin, March 11 - 16, 2018
Verhandl. DPG (2018) (Poster) - S. Schwalbe, S. Liebing, K. Trepte, T. Hahn, J. Kortus
Improvements for FLO-SIC: Electron force field (eFF) and Frozen-Core Approximation
(O 82.6) DPG conference Berlin, March 11 - 16, 2018
Verhandl. DPG (2018) (Poster) - L. Fiedler, J. Kortus, T. Hahn, S. Schwalbe
Implementation of the strongly constrained and appropriately normed semilocal density functional (SCAN) with self interaction correction (SIC)
(O 82.1) DPG conference Berlin, March 11 - 16, 2018
Verhandl. DPG (2018) (Poster) - J. Kraus, S. Schwalbe, T. Hahn, J. Kortus
Fermi-Löwdin orbital self-interaction corrected DFT for molecules
(O 82.2) DPG conference Berlin, March 11 - 16, 2018
Verhandl. DPG (2018) (Poster) - J. Richter, S. Schwalbe, J. Kortus, T. Hahn
Reliable magnetic properties for spin-crossover complexes with Fermi-Löwdin orbital self-interaction corrected DFT
(O 82.4) DPG conference Berlin, March 11 - 16, 2018
Verhandl. DPG (2018) (Poster) - C. Röder, M. Barchuk, T. Schneider, G. Lukin, F. Zimmermann, J. Kortus
Raman spectroscopic characterization of GaN grown by high-temperature vapor phase epitaxy
(HL 33.4) DPG conference Berlin, March 11 - 16, 2018
Verhandl. DPG (2018) (Poster) - J. Rix, C. Himcinschi, C. Röder, M. Rudolph, M. Yang, D. Rafaja, J. Kortus, M. Alexe
Ferroelastic domain identification in BiFeO3 crystals using Raman spectroscopy
(KFM 27.2) DPG conference Berlin, March 11 - 16, 2018
Verhandl. DPG (2018) (Poster) - R. Wirnata, R. Starke, G. Schober, J. Kortus
Wavevector dependent optical properties from wavevector independent ab initio conductivity tensor
(KFM 27.13) DPG conference Berlin, March 11 - 16, 2018
Verhandl. DPG (2018) (Poster)