Nicholson, C. W., et al. “Beyond the Molecular Movie: Dynamics of Bands and Bonds during a Photoinduced Phase Transition.”10.1126/science.aar4183__Science, 2018, pp. 821–25, doi:10.1126/science.aar4183.
LibreCat: /record/10013
DOI: 10.1126/science.aar4183

Paszkiewicz, Mateusz, et al. “Unraveling the Oxidation and Spin State of Mn–Corrole through X-Ray Spectroscopy and Quantum Chemical Analysis.”10.1021/acs.jpclett.8b02525__The Journal of Physical Chemistry Letters, 2018, pp. 6412–20, doi:10.1021/acs.jpclett.8b02525.
LibreCat: /record/10016
DOI: 10.1021/acs.jpclett.8b02525

Aldahhak, Hazem, et al. “Identifying On-Surface Site-Selective Chemical Conversions by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles on Ag(111).”10.1002/chem.201705921__Chemistry - A European Journal, 2018, pp. 6787–97, doi: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.”10.1002/pssb.201800314__Physica Status Solidi (b), no. 256, 1800314, 2018, doi:10.1002/pssb.201800314.
LibreCat: /record/17065
DOI: 10.1002/pssb.201800314

Schmidt, Claudia, et al. “Signatures of Transient Wannier-Stark Localization in Bulk Gallium Arsenide.”10.1038/s41467-018-05229-x__Nature Communications, vol. 9, 2890, 2018, doi:10.1038/s41467-018-05229-x.
LibreCat: /record/10018
DOI: 10.1038/s41467-018-05229-x

Müller, Patrick, et al. “Impact of Finite-Temperature and Condensed-Phase Effects on Theoretical X-Ray Absorption Spectra of Transition Metal Complexes.”10.1002/jcc.25641__Journal of Computational Chemistry, 2018, pp. 712–16, doi:10.1002/jcc.25641.
LibreCat: /record/13405
DOI: 10.1002/jcc.25641

Mamiyev, Z., et al. “Plasmon Spectroscopy: Robust Metallicity of Au Wires on Si(557) upon Oxidation.”10.1103/physrevmaterials.2.066002__Physical Review Materials, vol. 2, no. 6, 2018, doi:10.1103/physrevmaterials.2.066002.
LibreCat: /record/13406
DOI: 10.1103/physrevmaterials.2.066002

Biktagirov, Timur, et al. “Polytypism Driven Zero-Field Splitting of Silicon Vacancies in 6H-SiC.”10.1103/physrevb.98.195204__Physical Review B, vol. 98, no. 19, 2018, doi:10.1103/physrevb.98.195204.
LibreCat: /record/13403
DOI: 10.1103/physrevb.98.195204

Braun, Christian, et al. “Spin Pairing versus Spin Chains at Si(553)-Au Surfaces.”10.1103/physrevb.98.121402__Physical Review B, vol. 98, no. 12, 2018, doi:10.1103/physrevb.98.121402.
LibreCat: /record/13404
DOI: 10.1103/physrevb.98.121402

Rüsing, Michael, et al. “Imaging of 180 Ferroelectric Domain Walls in Uniaxial Ferroelectrics by Confocal Raman Spectroscopy: Unraveling the Contrast Mechanism.”10.1103/physrevmaterials.2.103801__Physical Review Materials, vol. 2, no. 10, American Physical Society (APS), 2018, doi:10.1103/physrevmaterials.2.103801.
LibreCat: /record/4769
DOI: 10.1103/physrevmaterials.2.103801

Riefer, Arthur, et al. “Zn–VI Quasiparticle Gaps and Optical Spectra from Many-Body Calculations.”10.1088/1361-648x/aa6b2a__Journal of Physics: Condensed Matter, vol. 29, no. 21, 215702, IOP Publishing, 2017, doi:10.1088/1361-648x/aa6b2a.
LibreCat: /record/7481
DOI: 10.1088/1361-648x/aa6b2a
WoS: 000400093100001
PMID: 28374685

Konieczna, Dagny D., et al. “New Pyridinium Based Ionic Dyes for the Hydrogen Evolution Reaction.”10.1016/j.tet.2017.11.053__Tetrahedron, 2017, pp. 142–49, doi: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.”10.1103/physrevb.96.235206__Physical Review B, vol. 96, no. 23, 2017, doi:10.1103/physrevb.96.235206.
LibreCat: /record/13414
DOI: 10.1103/physrevb.96.235206

Braun, Christian, et al. “Si(775)-Au Atomic Chains: Geometry, Optical Properties, and Spin Order.”10.1103/physrevmaterials.1.055002__Physical Review Materials, vol. 1, no. 5, 2017, doi:10.1103/physrevmaterials.1.055002.
LibreCat: /record/13415
DOI: 10.1103/physrevmaterials.1.055002

Friedrich, Michael, et al. “Polaron Optical Absorption in Congruent Lithium Niobate from Time-Dependent Density-Functional Theory.”10.1103/PhysRevMaterials.1.054406__Physical Review Materials, vol. 1, no. 5, 054406, American Physical Society, 2017, doi:10.1103/PhysRevMaterials.1.054406.
LibreCat: /record/13416
DOI: 10.1103/PhysRevMaterials.1.054406
WoS: 000416586100003

Lücke, Andreas, et al. “Efficient PAW-Based Bond Strength Analysis for Understanding the In/Si(111)(8 × 2) - (4 × 1) Phase Transition.”10.1002/jcc.24878__Journal of Computational Chemistry, 2017, pp. 2276–82, doi:10.1002/jcc.24878.
LibreCat: /record/13417
DOI: 10.1002/jcc.24878

Sanna, Simone, and Wolf Gero Schmidt. “LiNbO3 Surfaces from a Microscopic Perspective.”10.1088/1361-648x/aa818d__Journal of Physics: Condensed Matter, 413001, 2017, doi:10.1088/1361-648x/aa818d.
LibreCat: /record/13418
DOI: 10.1088/1361-648x/aa818d

Frigge, T., et al. “Optically Excited Structural Transition in Atomic Wires on Surfaces at the Quantum Limit.”10.1038/nature21432__Nature, vol. 544, 2017, pp. 207–11, doi: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.”10.1002/jcc.24812__Journal of Computational Chemistry, vol. 38, 2017, pp. 1685–92, doi:10.1002/jcc.24812.
LibreCat: /record/13420
DOI: 10.1002/jcc.24812

Witte, Matthias, et al. “[Cu6(NGuaS)6]2+ and Its Oxidized and Reduced Derivatives: Confining Electrons on a Torus.”10.1002/jcc.24798__Journal of Computational Chemistry, 2017, pp. 1752–61, doi:10.1002/jcc.24798.
LibreCat: /record/13422
DOI: 10.1002/jcc.24798