Nicholson, C. W., A. Lücke, Wolf Gero Schmidt, M. Puppin, L. Rettig, R. Ernstorfer, and M. Wolf. “Beyond the Molecular Movie: Dynamics of Bands and Bonds during a Photoinduced Phase Transition.”https://doi.org/10.1126/science.aar4183__Science, 2018, 821–25.https://doi.org/10.1126/science.aar4183 .
LibreCat: /record/10013
DOI: 10.1126/science.aar4183

Paszkiewicz, Mateusz, Timur Biktagirov, Hazem Aldahhak, Francesco Allegretti, Eva Rauls, Wolfgang Schöfberger, Wolf Gero Schmidt, Johannes V. Barth, Uwe Gerstmann, and Florian Klappenberger. “Unraveling the Oxidation and Spin State of Mn–Corrole through X-Ray Spectroscopy and Quantum Chemical Analysis.”https://doi.org/10.1021/acs.jpclett.8b02525__The Journal of Physical Chemistry Letters, 2018, 6412–20.https://doi.org/10.1021/acs.jpclett.8b02525 .
LibreCat: /record/10016
DOI: 10.1021/acs.jpclett.8b02525

Aldahhak, Hazem, M. Paszkiewicz, E. Rauls, F. Allegretti, S. Tebi, A. C. Papageorgiou, Y.-Q. Zhang, et al. “Identifying On-Surface Site-Selective Chemical Conversions by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles on Ag(111).”https://doi.org/10.1002/chem.201705921__Chemistry - A European Journal, 2018, 6787–97.https://doi.org/10.1002/chem.201705921 .
LibreCat: /record/10019
DOI: 10.1002/chem.201705921

Esser, Norbert, and Wolf Gero Schmidt. “Electric Field Induced Raman Scattering at the Sb–InP(110) Interface: The Surface Dipole Contribution.”https://doi.org/10.1002/pssb.201800314__Physica Status Solidi (b), no. 256 (2018).https://doi.org/10.1002/pssb.201800314 .
LibreCat: /record/17065
DOI: 10.1002/pssb.201800314

Schmidt, Claudia, J. Bühler, A.-C. Heinrich, J. Allerbeck, R. Podzimski, Daniel Berghoff, Torsten Meier, et al. “Signatures of Transient Wannier-Stark Localization in Bulk Gallium Arsenide.”https://doi.org/10.1038/s41467-018-05229-x__Nature Communications 9 (2018).https://doi.org/10.1038/s41467-018-05229-x .
LibreCat: /record/10018
DOI: 10.1038/s41467-018-05229-x

Müller, Patrick, Kristof Karhan, Matthias Krack, Uwe Gerstmann, Wolf Gero Schmidt, Matthias Bauer, and Thomas D. Kühne. “Impact of Finite-Temperature and Condensed-Phase Effects on Theoretical X-Ray Absorption Spectra of Transition Metal Complexes.”https://doi.org/10.1002/jcc.25641__Journal of Computational Chemistry, 2018, 712–16.https://doi.org/10.1002/jcc.25641 .
LibreCat: /record/13405
DOI: 10.1002/jcc.25641

Mamiyev, Z., T. Lichtenstein, C. Tegenkamp, Christian Braun, Wolf Gero Schmidt, S. Sanna, and H. Pfnür. “Plasmon Spectroscopy: Robust Metallicity of Au Wires on Si(557) upon Oxidation.”https://doi.org/10.1103/physrevmaterials.2.066002__Physical Review Materials 2, no. 6 (2018).https://doi.org/10.1103/physrevmaterials.2.066002 .
LibreCat: /record/13406
DOI: 10.1103/physrevmaterials.2.066002

Biktagirov, Timur, Wolf Gero Schmidt, Uwe Gerstmann, Boris Yavkin, Sergei Orlinskii, Pavel Baranov, Vladimir Dyakonov, and Victor Soltamov. “Polytypism Driven Zero-Field Splitting of Silicon Vacancies in 6H-SiC.”https://doi.org/10.1103/physrevb.98.195204__Physical Review B 98, no. 19 (2018).https://doi.org/10.1103/physrevb.98.195204 .
LibreCat: /record/13403
DOI: 10.1103/physrevb.98.195204

Braun, Christian, Uwe Gerstmann, and Wolf Gero Schmidt. “Spin Pairing versus Spin Chains at Si(553)-Au Surfaces.”https://doi.org/10.1103/physrevb.98.121402__Physical Review B 98, no. 12 (2018).https://doi.org/10.1103/physrevb.98.121402 .
LibreCat: /record/13404
DOI: 10.1103/physrevb.98.121402

Rüsing, Michael, Sergej Neufeld, Julian Brockmeier, Christof Eigner, P. Mackwitz, K. Spychala, Christine Silberhorn, et al. “Imaging of 180 Ferroelectric Domain Walls in Uniaxial Ferroelectrics by Confocal Raman Spectroscopy: Unraveling the Contrast Mechanism.”https://doi.org/10.1103/physrevmaterials.2.103801__Physical Review Materials 2, no. 10 (2018).https://doi.org/10.1103/physrevmaterials.2.103801 .
LibreCat: /record/4769
DOI: 10.1103/physrevmaterials.2.103801

Riefer, Arthur, Nils Weber, Johannes Mund, Dmitri R. Yakovlev, Manfred Bayer, Arno Schindlmayr, Cedrik Meier, and Wolf Gero Schmidt. “Zn–VI Quasiparticle Gaps and Optical Spectra from Many-Body Calculations.”https://doi.org/10.1088/1361-648x/aa6b2a__Journal of Physics: Condensed Matter 29, no. 21 (2017).https://doi.org/10.1088/1361-648x/aa6b2a .
LibreCat: /record/7481
DOI: 10.1088/1361-648x/aa6b2a
WoS: 000400093100001
PMID: 28374685

Konieczna, Dagny D., Harry Biller, Matthias Witte, Wolf Gero Schmidt, Adam Neuba, and René Wilhelm. “New Pyridinium Based Ionic Dyes for the Hydrogen Evolution Reaction.”https://doi.org/10.1016/j.tet.2017.11.053__Tetrahedron, 2017, 142–49.https://doi.org/10.1016/j.tet.2017.11.053 .
LibreCat: /record/13412
DOI: 10.1016/j.tet.2017.11.053

Riefer, A., and Wolf Gero Schmidt. “Solving the Bethe-Salpeter Equation for the Second-Harmonic Generation in Zn Chalcogenides.”https://doi.org/10.1103/physrevb.96.235206__Physical Review B 96, no. 23 (2017).https://doi.org/10.1103/physrevb.96.235206 .
LibreCat: /record/13414
DOI: 10.1103/physrevb.96.235206

Braun, Christian, Conor Hogan, Sandhya Chandola, Norbert Esser, Simone Sanna, and Wolf Gero Schmidt. “Si(775)-Au Atomic Chains: Geometry, Optical Properties, and Spin Order.”https://doi.org/10.1103/physrevmaterials.1.055002__Physical Review Materials 1, no. 5 (2017).https://doi.org/10.1103/physrevmaterials.1.055002 .
LibreCat: /record/13415
DOI: 10.1103/physrevmaterials.1.055002

Friedrich, Michael, Wolf Gero Schmidt, Arno Schindlmayr, and Simone Sanna. “Polaron Optical Absorption in Congruent Lithium Niobate from Time-Dependent Density-Functional Theory.”https://doi.org/10.1103/PhysRevMaterials.1.054406__Physical Review Materials 1, no. 5 (2017).https://doi.org/10.1103/PhysRevMaterials.1.054406 .
LibreCat: /record/13416
DOI: 10.1103/PhysRevMaterials.1.054406
WoS: 000416586100003

Lücke, Andreas, Uwe Gerstmann, Thomas D. Kühne, and Wolf Gero Schmidt. “Efficient PAW-Based Bond Strength Analysis for Understanding the In/Si(111)(8 × 2) - (4 × 1) Phase Transition.”https://doi.org/10.1002/jcc.24878__Journal of Computational Chemistry, 2017, 2276–82.https://doi.org/10.1002/jcc.24878 .
LibreCat: /record/13417
DOI: 10.1002/jcc.24878

Sanna, Simone, and Wolf Gero Schmidt. “LiNbO3 Surfaces from a Microscopic Perspective.”https://doi.org/10.1088/1361-648x/aa818d__Journal of Physics: Condensed Matter, 2017.https://doi.org/10.1088/1361-648x/aa818d .
LibreCat: /record/13418
DOI: 10.1088/1361-648x/aa818d

Frigge, T., B. Hafke, T. Witte, B. Krenzer, C. Streubühr, A. Samad Syed, V. Miksi Trontl, et al. “Optically Excited Structural Transition in Atomic Wires on Surfaces at the Quantum Limit.”https://doi.org/10.1038/nature21432__Nature 544 (2017): 207–11.https://doi.org/10.1038/nature21432 .
LibreCat: /record/13419
DOI: 10.1038/nature21432

Nozaki, Daijiro, and Wolf Gero Schmidt. “Current Density Analysis of Electron Transport through Molecular Wires in Open Quantum Systems.”https://doi.org/10.1002/jcc.24812__Journal of Computational Chemistry 38 (2017): 1685–92.https://doi.org/10.1002/jcc.24812 .
LibreCat: /record/13420
DOI: 10.1002/jcc.24812

Witte, Matthias, Martin Rohrmüller, Uwe Gerstmann, Gerald Henkel, Wolf Gero Schmidt, and Sonja Herres-Pawlis. “[Cu6(NGuaS)6]2+ and Its Oxidized and Reduced Derivatives: Confining Electrons on a Torus.”https://doi.org/10.1002/jcc.24798__Journal of Computational Chemistry, 2017, 1752–61.https://doi.org/10.1002/jcc.24798 .
LibreCat: /record/13422
DOI: 10.1002/jcc.24798