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Internationale Zeitschriften D. Thomas, M. Abdel-Hafiez, Th. Gruber, R. Hüttl, J. Seidel, A. U.B. Wolter, B. Büchner, J. Kortus, F. Mertens The heat capacity and entropy of lithium silicides over the temperature range from (2 to 873) K J. Chem. Thermodynamics 64 (2013) 205 - 225F. B. Bairamov, V. V. Toporov, D. E. Poloskin, H. Bairamov, C. Röder, C. Sprung, K. Bohmhammel, J. Seidel, G. Irmer, A. Lashkul, E. Lähderanta, Y. W. Song Resonant inelastic light scattering and photoluminescence in isolated nc-Si/SiO2 quantum dots Semiconductors 47 (2013) 623 - 627M. A. Abdulmalic, A. Aliabadi, A. K. Petr, Y. Krupskaya, V. Kataev, B. Büchner, T. Hahn, J. Kortus, N. Yèche, H.-H. Klauss, T. Rüffer Redox-active Ferrocene as a tuning functionality for magnetic superexchange interactions of Bis(oxamato) type complexes Organometallics 32 (2013) 5988 - 6003R. Friedrich, B. Kersting, J. Kortus Fermi level engineering in organic semiconductors for controlled manufacturing of charge and spin transfer materials Phys.Rev. B 88 (2013) 155327 (6pp)W. W. Rudolph and G. Irmer Hydration and speciation studies of Mn2+ in aqueous solution with simple monovalent anions (Cl04 - , NO3 - , Cl- , Br- ) Dalton Trans. 42 (2013) 14460 - 14472W. W. Rudolph and G. Irmer Hydration of Calcium(II) Ion in Aqueous Solution of Common Anions (Cl04 - , Cl- , Br- ) and NO3 - Dalton Trans. 42 (2013) 3919 - 3935G. Irmer, Ch. Röder, C. Himcinschi, J. Kortus Phonon polaritons in uniaxial crystals: A Raman scattering study of polaritions in α-GaN Phys.Rev. B 88 (2013) 104303 (14pp) C. Loose and J. Kortus Systematic study of the influence of different equations of states on the calculation of elastic properties High Pressure Research (2013) 1-11 S. Bahmann, T. Weißbach, J. Kortus Crossed graphene: Stability and electronic structure Phys. Stat. Sol. 7 (2013) 639 - 642 A. G. Milekhin, N.A. Yeryukov, L. Sveshnikova, T.A. Duda, D. Protasov, A.K. Gutakovskii, S.A. Batsanov, N.V. Surovtsev, S.V. Adichtchev, C. Himcinschi, V. Dzhagan, F. Haidu, D.R.T. Zahn CdZnS quantum dots formed by the Langmuir-Blodgett technique J. Vac. Sci. Technol. B 31 (2013) 04D109 (7pp)J. Hanzig, M. Zschornak, F. Hanzig, E. Mehner, H. Stöcker, B. Abendroth, Ch. Röder, A. Talkenberger, G. Schreiber, D. Rafaja, S. Gemming, D. C. Meyer Migration-induced field-stabilized polar phase in strontium titanate single crystals at room temperature Phys. Rev. B 88 (2013) 024104(10pp)C. Röder, F. Lipski, F. Habel, G. Leibiger, M. Abendroth, C. Himcinschi, J. Kortus Raman spectroscopic characterization of epitaxially grown GaN on sapphire J. Phys. D: Appl. Phys. 46 (2013) 285302(7pp)S. Bahmann and J. Kortus EVO - Evolutionary algrorithm for crystal structure prediction Comp.Phys. Comm. 184 (2013) 1618 - 1625R. Friedrich, S. Lindner, T. Hahn, C. Loose, S. Liebing, M. Knupfer, J. Kortus Systematic theoretical investigation of the phthalocyanine based dimer: MnPc δ+ /F16 CoPc δ- Phys. Rev. B 87 (2013) 115423 (10pp)C. Himcinschi, I. Vrejoiu, G. Salvan, M. Fronk, A. Talkenberger, D.R.T. Zahn, D. Rafaja, J. Kortus Optical and magneto-optical study of nickel and cobalt ferrite epitaxial thin films and submicron structures J. Appl. Phys. 113 (2013) 084101 (8pp)N. Seidel, T. Hahn, S. Liebing, W. Seichter, J. Kortus, E. Weber Synthesis and properties of new 9, 10-anthraquinone derived compounds for molecular electronics New J. Chem. 37 (2013) 601 - 610S. Haas, F. Schneider, C. Himcinschi, V. Klemm, G. Schreiber, J. von Borany, J. Heitmann Ge nanoparticle formation by thermal treatment of rf-sputtered ZrO2 /ZrGe2 O3 superlattices J. Appl. Phys.113 (2013) 044303 (4pp)E. Rose, C. Loose, J. Kortus, A. Pashkin, C. A. Kuntscher, S. G. Ebbinghaus, M. Hanfland, F. Lissner, Th. Schleid, M. Dressel Pressure-dependent structural and electronic properties of quasi-one-dimensional (TMTTF)2 PF6 J. Phys. : Condens. Matter 25 (2013) 014006 (11pp)Proceedings A. Milekhin, N. Yeryukov, L. Sveshnikova, T. Duda, S. Kosolobov, E. Rodyakina, A. Latyshev, C. Himcinschi, V. Dzhagan, W.-B. Jian, and D. Zahn Raman scattering for probing semiconductor nanostructures: From nanocrystal arrays towards a single nanocrystal 31st International Conference on the Physics of Semiconductors (ICPS) 29 July–3 August 2012, Zürich, Switzerland AIP Conf. Proc.1566 (2013) 530R. Ehricht, E. Müller, St. Monecke, J. Monecke Towards a mathematical model for multiplex PCR 2nd European Meeting on Animal Chlamydioses and Zoonotic Implications (EMAC-2), 13.-14.06.2013, JenaC. Himcinschi, I. Vrejoiu, G. Salvan, M. Fronk, A. Talkenberger, D.R.T. Zahn, D. Rafaja, and J. Kortus NiFe2 04 and CoFe22 04 epitaxial thin films and submicron structures: A magneto-optical study 4th Intern. Conference from Nanoparticles and Nanomaterials to Nanodevices and Nanosystems (IC4N) Corfu, Greece, June 16th - 20th 2013, (Talk), Book of Abstracts, page 66C. Röder, F. Beyer, G. Leibiger, F. Habel, M. Abendroth, C. Himcinschi, J. Kortus Nonlinear deformation in GaN layers due to wafer curvature - simulation and Raman measurements DGK 21st Annual Conference 2013, Freiberg, March 19th to 22th 2013 Zeitschrift für Kristallographie, (Oldenbourg Verlag), VortragJ. Kortus, R. Friedrich, C. Loose, M. Knupfer Metal-phthalocyanines: Materials for molecular spintronics (DS29.2) DPG conference Regensburg, March 10th to 15th 2013 Verhandl. DPG (2013) (Topical Talk)Ch. Röder, G. Irmer, C. Himcinschi, J. Kortus Raman scattering study of phonon-polaritons in wurtzite GaN (HL39.2) DPG conference Regensburg, March 10th to 15th 2013 Verhandl. DPG (2013) (Vortrag)S. Bahmann, T. Weißbach, J. Kortus Prediction of a hybrid graphene-diamond like phase (MM18.5) DPG conference Regensburg, March 10th to 15th 2013 Verhandl. DPG (2013) (Vortrag)R. Friedrich, S. Lindner, T. Hahn, C. Loose, M. Knupfer, J. Kortus Density Functional Investigation of a Phthalocyanine Based Spin Transfer Material (MA23.2) DPG conference Regensburg, March 10th to 15th 2013 Verhandl. DPG (2013) (Vortrag)C. Loose, J. Kortus The influence of different Equations of State on the calculation of elastic properties (MM41.5) DPG conference Regensburg, March 10th to 15th 2013 Verhandl. DPG (2013) (Vortrag)S. Lamowski, T. Weißbach, J. Kortus On low-energy electronic excitations in the Ti1-xAlxN-system (MM43.1) DPG conference Regensburg, March 10th to 15th 2013 Verhandl. DPG (2013) (Vortrag)S. Liebing, T. Hahn, J. Kortus How contact groups influence metal molecule hybrid structures under voltage (O54.11) DPG conference Regensburg, March 10th to 15th 2013 Verhandl. DPG (2013) (Vortrag)C. Himcinschi, I. Vrejoiu, G. Salvan, M. Fronk, A. Talkenberger, D. Zahn, J. Kortus (Magneto)-optical investigations of NiFe2 O4 and CoFe2 O4 epitaxial thin films (DS28.2) DPG conference Regensburg, March 10th to 15th 2013 Verhandl. DPG (2013) (Vortrag)S. Schmerler, J. Kortus Phase diagram and thermodynamic properties of aluminum nitride from ab initio calculations (MM59.3) DPG conference Regensburg, March 10th to 150th 2013 Verhandl. DPG (2013) (Vortrag)T. Weißbach, S. Bahmann, J. Kortus Symmetry and electronic structure study of a predicted carbon structure (MM15.12) DPG conference Regensburg, March 10th to 15th 2013 Verhandl. DPG (2013) (Poster)S. Schwalbe, T. Weißbach, J. Kortus Stacking fault energy of a binary Fex Mn{1-x} mixed crystal calculated by combing cluster expansion and DFT (MM15.27) DPG conference Regensburg, March 10th to 15th 2013 Verhandl. DPG (2013) (Poster)T. Gruber, J. Kortus Rational Tuning and Thermodynamic Characterization of Lithium Silicides as Electrode Materials for Lithium Ion Batteries (MM15.19) DPG conference Regensburg, March 10th to 15th 2013 Verhandl. DPG (2013) (Poster)L. Armirkhanyan, T. Weißbach, J. Kortus Investigation of possible solid state reaction in the Fe-Al-O system based on density functional theory (MM15.28) DPG conference Regensburg, March 10th to 15th 2013 Verhandl. DPG (2013) (Poster)K. Trepte, C. Loose, J. Kortus Electronic structure and magnetic properties of a macrocyclic dinickel complex (MA16.81) DPG conference Regensburg, March 10th to 15th 2013 Verhandl. DPG (2013) (Poster)A. Talkenberger, C. Himcinschi, F. Johann, I. Vrejoiu, J. Kortus Electronic structure and magnetic properties of a macrocyclic dinickel complex (MA16.6) DPG conference Regensburg, March 10th to 15th 2013 Verhandl. DPG (2013) (Poster)T. Hahn Properties of Phthalocyanine Hetreojunctions for the Application as Molecular Spintronic Materials (DS32.44) DPG conference Regensburg, March 10th to 15th 2013 Verhandl. DPG (2013) (Poster)T. Birnbaum, C. Loose, J. Kortus Weakly forbidden transitions in manganese(II)-phthalocyanine (DS32.13) DPG conference Regensburg, March 10th to 15th 2013 Verhandl. DPG (2013) (Poster)Doktor-, Bachelor-/Masterarbeiten Claudia Martin Density functional study of the electronic and magnetic properties of selected transition metal complexes Dissertation, 29.11.2013Masud Alam Investigations of bonding sites between Al2 O3 and graphitic Carbon interface by DFT Masterarbeit 28.10.2013Roman Renger Untersuchung phononischer und elektronischer Eigenschaften des Ladungstransfersalzes Picene/F4TCNQ mittels DFT Bachelorarbeit 11.10.2013Simon Liebing Quantum transport through molecules: Influence of contact groups Masterarbeit 12.07.2013Simon Lamowski Low-energy electronic excitations in Ti1-x Alx N Masterarbeit 20.02.2013