@articleAldahhak_Matencio_Barrena_Ocal_Schmidt_Rauls_2015, title=Structure formation in diindenoperylene thin films on copper(111), volume=17, DOI=10.1039/c4cp05271d, journal=Physical Chemistry Chemical Physics, author=Aldahhak, Hazem and Matencio, S. and Barrena, E. and Ocal, C. and Schmidt, Wolf Gero and Rauls, E., year=2015, pages=8776–8783 
LibreCat: /record/13505
DOI: 10.1039/c4cp05271d

@articleSanson_Zaltron_Argiolas_Sada_Bazzan_Schmidt_Sanna_2015, title=Polaronic deformation at theFe2+/3+impurity site inFe:LiNbO3crystals, volume=91, DOI=10.1103/physrevb.91.094109, journal=Physical Review B, author=Sanson, A. and Zaltron, A. and Argiolas, N. and Sada, C. and Bazzan, M. and Schmidt, Wolf Gero and Sanna, S., year=2015 
LibreCat: /record/13506
DOI: 10.1103/physrevb.91.094109

@articleLandmann_Rauls_Schmidt_Neumann_Speiser_Esser_2015, title=GaNm-plane: Atomic structure, surface bands, and optical response, volume=91, DOI=10.1103/physrevb.91.035302, journal=Physical Review B, author=Landmann, M. and Rauls, E. and Schmidt, Wolf Gero and Neumann, M. D. and Speiser, E. and Esser, N., year=2015 
LibreCat: /record/13507
DOI: 10.1103/physrevb.91.035302

@articleNeuba_Rohrmüller_Hölscher_Schmidt_Henkel_2015, title=A panel of peralkylated sulfur–guanidine type bases: Novel pro-ligands for use in biomimetic coordination chemistry, volume=430, DOI=10.1016/j.ica.2015.03.015, journal=Inorganica Chimica Acta, author=Neuba, Adam and Rohrmüller, Martin and Hölscher, Rebecca and Schmidt, Wolf Gero and Henkel, Gerald, year=2015, pages=225–238 
LibreCat: /record/13818
DOI: 10.1016/j.ica.2015.03.015

@articleOreshnikov_Driben_Yulin_2015, title=Interaction of high-order solitons with external dispersive waves, DOI=10.1364/ol.40.005554, number=5554, journal=Optics Letters, author=Oreshnikov, I. and Driben, R. and Yulin, A. V., year=2015 
LibreCat: /record/22947
DOI: 10.1364/ol.40.005554

@articleHölscher_Schmidt_Sanna_2014, title=Modeling LiNbO3 Surfaces at Ambient Conditions, DOI=10.1021/jp502936f, journal=The Journal of Physical Chemistry C, author=Hölscher, Rebecca and Schmidt, Wolf Gero and Sanna, Simone, year=2014, pages=10213–10220 
LibreCat: /record/10036
DOI: 10.1021/jp502936f

@articleGuo_Paulheim_Sokolowski_Aldahhak_Rauls_Schmidt_2014, title=Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface, volume=118, DOI=10.1021/jp509663s, journal=The Journal of Physical Chemistry C, author=Guo, Q. and Paulheim, A. and Sokolowski, M. and Aldahhak, Hazem and Rauls, E. and Schmidt, Wolf Gero, year=2014, pages=29911–29918 
LibreCat: /record/13508
DOI: 10.1021/jp509663s

@articleOh_Wippermann_Schmidt_Yeom_2014, title=Oxygen adsorbates on the Si(111)4×1-In metallic atomic wire: Scanning tunneling microscopy and density-functional theory calculations, volume=90, DOI=10.1103/physrevb.90.155432, number=15, journal=Physical Review B, author=Oh, Deok Mahn and Wippermann, S. and Schmidt, Wolf Gero and Yeom, Han Woong, year=2014 
LibreCat: /record/13509
DOI: 10.1103/physrevb.90.155432

@articleHoffmann_Rohrmüller_Jesser_dos Santos Vieira_Schmidt_Herres-Pawlis_2014, title=Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (part II), volume=35, DOI=10.1002/jcc.23740, number=29–30, journal=Journal of Computational Chemistry, author=Hoffmann, Alexander and Rohrmüller, Martin and Jesser, Anton and dos Santos Vieira, Ines and Schmidt, Wolf Gero and Herres-Pawlis, Sonja, year=2014, pages=2146–2161 
LibreCat: /record/13510
DOI: 10.1002/jcc.23740

@articleLandmann_Köhler_Rauls_Frauenheim_Schmidt_2014, title=The atomic structure of ternary amorphous TixSi1xO2hybrid oxides, volume=26, DOI=10.1088/0953-8984/26/25/253201, number=253201, journal=Journal of Physics: Condensed Matter, author=Landmann, M and Köhler, T and Rauls, E and Frauenheim, T and Schmidt, Wolf Gero, year=2014 
LibreCat: /record/13511
DOI: 10.1088/0953-8984/26/25/253201

@articleSanna_Schmidt_Thissen_2014, title=Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001), volume=118, DOI=10.1021/jp500170t, journal=The Journal of Physical Chemistry C, author=Sanna, Simone and Schmidt, Wolf Gero and Thissen, Peter, year=2014, pages=8007–8013 
LibreCat: /record/13512
DOI: 10.1021/jp500170t

@articleGerstmann_Vollmers_Lücke_Babilon_Schmidt_2014, title=Rashba splitting and relativistic energy shifts in In/Si(111) nanowires, volume=89, DOI=10.1103/physrevb.89.165431, number=16, journal=Physical Review B, author=Gerstmann, Uwe and Vollmers, N. J. and Lücke, A. and Babilon, M. and Schmidt, Wolf Gero, year=2014 
LibreCat: /record/13513
DOI: 10.1103/physrevb.89.165431

@articleLi_Schmidt_Sanna_2014, title=IntrinsicLiNbO3point defects from hybrid density functional calculations, volume=89, DOI=10.1103/physrevb.89.094111, number=9, journal=Physical Review B, author=Li, Yanlu and Schmidt, Wolf Gero and Sanna, S., year=2014 
LibreCat: /record/13514
DOI: 10.1103/physrevb.89.094111

@articleSanna_Hölscher_Schmidt_2014, title=Temperature dependent LiNbO3(0001): Surface reconstruction and surface charge, DOI=10.1016/j.apsusc.2014.01.104, journal=Applied Surface Science, author=Sanna, S. and Hölscher, R. and Schmidt, Wolf Gero, year=2014, pages=70–78 
LibreCat: /record/13515
DOI: 10.1016/j.apsusc.2014.01.104

@articleSanna_Schmidt_Rode_Klassen_Kühnle_2014, title=Unraveling theLiNbO3X-cut surface by atomic force microscopy and density functional theory, volume=89, DOI=10.1103/physrevb.89.075403, number=7, journal=Physical Review B, author=Sanna, S. and Schmidt, Wolf Gero and Rode, S. and Klassen, S. and Kühnle, A., year=2014 
LibreCat: /record/13516
DOI: 10.1103/physrevb.89.075403

@inbookRiefer_Rohrmüller_Landmann_Sanna_Rauls_Vollmers_Hölscher_Witte_Li_Gerstmann_et al._2013, place=Cham, series=Transactions of the High Performance Computing Center, Stuttgart, title=Lithium niobate dielectric function and second-order polarizability tensor from massively parallel ab initio calculations, DOI=10.1007/978-3-319-02165-2_8, booktitle=High Performance Computing in Science and Engineering ‘13, publisher=Springer, author=Riefer, Arthur and Rohrmüller, Martin and Landmann, Marc and Sanna, Simone and Rauls, Eva and Vollmers, Nora Jenny and Hölscher, Rebecca and Witte, Matthias and Li, Yanlu and Gerstmann, Uwe and et al., editor=Nagel, Wolfgang E. and Kröner, Dietmar H. and Resch, Michael M.Editors, year=2013, pages=93–104, collection=Transactions of the High Performance Computing Center, Stuttgart 
LibreCat: /record/18475
DOI: 10.1007/978-3-319-02165-2_8
WoS: 000360004100009

@articleJesser_Rohrmüller_Schmidt_Herres-Pawlis_2013, title=Geometrical and optical benchmarking of copper guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory, volume=35, DOI=10.1002/jcc.23449, number=1–2, journal=Journal of Computational Chemistry, author=Jesser, Anton and Rohrmüller, Martin and Schmidt, Wolf Gero and Herres-Pawlis, Sonja, year=2013, pages=1–17 
LibreCat: /record/13517
DOI: 10.1002/jcc.23449

@articleFrigge_Wall_Krenzer_Wippermann_Sanna_Klasing_Hanisch-Blicharski_Kammler_Schmidt_Horn-von Hoegen_2013, title=Friggeet al.Reply:, volume=111, DOI=10.1103/physrevlett.111.149602, journal=Physical Review Letters, author=Frigge, T. and Wall, S. and Krenzer, B. and Wippermann, St. and Sanna, S. and Klasing, F. and Hanisch-Blicharski, A. and Kammler, M. and Schmidt, Wolf Gero and Horn-von Hoegen, M., year=2013, pages=149602 
LibreCat: /record/13518
DOI: 10.1103/physrevlett.111.149602

@articleRiefer_Sanna_Schmidt_2013, title=LiNb1-xTaxO3Electronic Structure and Optical Response fromFirst-PrinciplesCalculations, volume=447, DOI=10.1080/00150193.2013.821904, journal=Ferroelectrics, author=Riefer, A. and Sanna, S. and Schmidt, Wolf Gero, year=2013, pages=78–85 
LibreCat: /record/13519
DOI: 10.1080/00150193.2013.821904

@articleSanna_Rode_Hölscher_Klassen_Marutschke_Kobayashi_Yamada_Schmidt_Kühnle_2013, title=Charge compensation by long-period reconstruction in strongly polar lithium niobate surfaces, volume=88, DOI=10.1103/physrevb.88.115422, journal=Physical Review B, author=Sanna, S. and Rode, S. and Hölscher, R. and Klassen, S. and Marutschke, C. and Kobayashi, K. and Yamada, H. and Schmidt, Wolf Gero and Kühnle, A., year=2013 
LibreCat: /record/13521
DOI: 10.1103/physrevb.88.115422