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4999 Publications
2014 | Journal Article | LibreCat-ID: 13510
Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (part II)
A. Hoffmann, M. Rohrmüller, A. Jesser, I. dos Santos Vieira, W.G. Schmidt, S. Herres-Pawlis, Journal of Computational Chemistry 35 (2014) 2146–2161.
LibreCat
| DOI
A. Hoffmann, M. Rohrmüller, A. Jesser, I. dos Santos Vieira, W.G. Schmidt, S. Herres-Pawlis, Journal of Computational Chemistry 35 (2014) 2146–2161.
2014 | Journal Article | LibreCat-ID: 13509
Oxygen adsorbates on the Si(111)4×1-In metallic atomic wire: Scanning tunneling microscopy and density-functional theory calculations
D.M. Oh, S. Wippermann, W.G. Schmidt, H.W. Yeom, Physical Review B 90 (2014).
LibreCat
| DOI
D.M. Oh, S. Wippermann, W.G. Schmidt, H.W. Yeom, Physical Review B 90 (2014).
2014 | Journal Article | LibreCat-ID: 13511
The atomic structure of ternary amorphous TixSi1−xO2hybrid oxides
M. Landmann, T. Köhler, E. Rauls, T. Frauenheim, W.G. Schmidt, Journal of Physics: Condensed Matter 26 (2014).
LibreCat
| DOI
M. Landmann, T. Köhler, E. Rauls, T. Frauenheim, W.G. Schmidt, Journal of Physics: Condensed Matter 26 (2014).
2014 | Journal Article | LibreCat-ID: 13513
Rashba splitting and relativistic energy shifts in In/Si(111) nanowires
U. Gerstmann, N.J. Vollmers, A. Lücke, M. Babilon, W.G. Schmidt, Physical Review B 89 (2014).
LibreCat
| DOI
U. Gerstmann, N.J. Vollmers, A. Lücke, M. Babilon, W.G. Schmidt, Physical Review B 89 (2014).
2014 | Journal Article | LibreCat-ID: 13516
Unraveling theLiNbO3X-cut surface by atomic force microscopy and density functional theory
S. Sanna, W.G. Schmidt, S. Rode, S. Klassen, A. Kühnle, Physical Review B 89 (2014).
LibreCat
| DOI
S. Sanna, W.G. Schmidt, S. Rode, S. Klassen, A. Kühnle, Physical Review B 89 (2014).
2014 | Journal Article | LibreCat-ID: 13514
IntrinsicLiNbO3point defects from hybrid density functional calculations
Y. Li, W.G. Schmidt, S. Sanna, Physical Review B 89 (2014).
LibreCat
| DOI
Y. Li, W.G. Schmidt, S. Sanna, Physical Review B 89 (2014).
2014 | Journal Article | LibreCat-ID: 13512
Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001)
S. Sanna, W.G. Schmidt, P. Thissen, The Journal of Physical Chemistry C 118 (2014) 8007–8013.
LibreCat
| DOI
S. Sanna, W.G. Schmidt, P. Thissen, The Journal of Physical Chemistry C 118 (2014) 8007–8013.
2014 | Journal Article | LibreCat-ID: 13515
Temperature dependent LiNbO3(0001): Surface reconstruction and surface charge
S. Sanna, R. Hölscher, W.G. Schmidt, Applied Surface Science (2014) 70–78.
LibreCat
| DOI
S. Sanna, R. Hölscher, W.G. Schmidt, Applied Surface Science (2014) 70–78.
2014 | Journal Article | LibreCat-ID: 13508
Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface
Q. Guo, A. Paulheim, M. Sokolowski, H. Aldahhak, E. Rauls, W.G. Schmidt, The Journal of Physical Chemistry C 118 (2014) 29911–29918.
LibreCat
| DOI
Q. Guo, A. Paulheim, M. Sokolowski, H. Aldahhak, E. Rauls, W.G. Schmidt, The Journal of Physical Chemistry C 118 (2014) 29911–29918.
2014 | Journal Article | LibreCat-ID: 15864
Influence of Coulomb-induced band couplings on linear excitonic absorption spectra of semiconducting carbon nanotubes
H. Liu, S. Schumacher, T. Meier, Physical Review B 89 (2014).
LibreCat
| DOI
H. Liu, S. Schumacher, T. Meier, Physical Review B 89 (2014).
2014 | Conference Paper | LibreCat-ID: 15865
Formation and control of transverse patterns in a quantum fluid of microcavity polaritons
P. Lewandowski, V. Ardizzone, Y.C. Tse, N.H. Kwong, M.H. Luk, A. Lücke, M. Abbarchi, J. Bloch, E. Baudin, E. Galopin, A. Lemaître, P.T. Leung, Ph. Roussignol, R. Binder, J. Tignon, S. Schumacher, in: M. Betz, A.Y. Elezzabi, J.-J. Song, K.-T. Tsen (Eds.), Ultrafast Phenomena and Nanophotonics XVIII, 2014.
LibreCat
| DOI
P. Lewandowski, V. Ardizzone, Y.C. Tse, N.H. Kwong, M.H. Luk, A. Lücke, M. Abbarchi, J. Bloch, E. Baudin, E. Galopin, A. Lemaître, P.T. Leung, Ph. Roussignol, R. Binder, J. Tignon, S. Schumacher, in: M. Betz, A.Y. Elezzabi, J.-J. Song, K.-T. Tsen (Eds.), Ultrafast Phenomena and Nanophotonics XVIII, 2014.
2014 | Journal Article | LibreCat-ID: 7485
Optical spectrum, perceived color, refractive index, and non-adiabatic dynamics of the photochromic diarylethene CMTE
C. Wiebeler, C.A. Bader, C. Meier, S. Schumacher, Phys. Chem. Chem. Phys. 16 (2014) 14531–14538.
LibreCat
| DOI
C. Wiebeler, C.A. Bader, C. Meier, S. Schumacher, Phys. Chem. Chem. Phys. 16 (2014) 14531–14538.
2014 | Journal Article | LibreCat-ID: 15863
Polycyclic Aromatic Hydrocarbons Obtained by Lateral Core Extension of Mesogenic Perylenes: Absorption and Optoelectronic Properties
J. Vollbrecht, H. Bock, C. Wiebeler, S. Schumacher, H.-S. Kitzerow, Chemistry - A European Journal (2014) 12026–12031.
LibreCat
| DOI
J. Vollbrecht, H. Bock, C. Wiebeler, S. Schumacher, H.-S. Kitzerow, Chemistry - A European Journal (2014) 12026–12031.
2014 | Journal Article | LibreCat-ID: 15861
Optical Spectroscopy of Graphene Quantum Dots: The Case of C132
H. Riesen, C. Wiebeler, S. Schumacher, The Journal of Physical Chemistry A (2014) 5189–5195.
LibreCat
| DOI
H. Riesen, C. Wiebeler, S. Schumacher, The Journal of Physical Chemistry A (2014) 5189–5195.
2014 | Conference Paper | LibreCat-ID: 63087
Konzeptverständnis durch Vernetzung von Repräsentationsebenen
Y. Dettweiler, S. Fechner, in: S. Bernholt (Ed.), Naturwissenschaftliche Bildung Zwischen Science- Und Fachunterricht (Pp. 594-596), IPN-Verlag, Kiel, 2014.
LibreCat
Y. Dettweiler, S. Fechner, in: S. Bernholt (Ed.), Naturwissenschaftliche Bildung Zwischen Science- Und Fachunterricht (Pp. 594-596), IPN-Verlag, Kiel, 2014.
2014 | Conference Abstract | LibreCat-ID: 63086
Challenges in implementing context-concept approaches on a larger scale – The case of the Netherlands
A. Bulte, G. Prins, S. Fechner, in: International Conference on Chemical Education (ICCE), Toronto, Canada, 2014.
LibreCat
A. Bulte, G. Prins, S. Fechner, in: International Conference on Chemical Education (ICCE), Toronto, Canada, 2014.
2014 | Conference Abstract | LibreCat-ID: 63088
Challenges of designing and disseminating an inquiry-based and workplace-related task in chemistry
S. Fechner, M. Romero, A. Quesada, in: Educating the Educators Conference, Essen, Germany, 2014.
LibreCat
S. Fechner, M. Romero, A. Quesada, in: Educating the Educators Conference, Essen, Germany, 2014.
2014 | Journal Article | LibreCat-ID: 15862
Quantum Yields and Reaction Times of Photochromic Diarylethenes: Nonadiabatic Ab Initio Molecular Dynamics for Normal- and Inverse-Type
C. Wiebeler, S. Schumacher, The Journal of Physical Chemistry A (2014) 7816–7823.
LibreCat
| DOI
C. Wiebeler, S. Schumacher, The Journal of Physical Chemistry A (2014) 7816–7823.
2014 | Book Chapter | LibreCat-ID: 18471
Spin excitations in solids from many-body perturbation theory
C. Friedrich, E. Şaşıoğlu, M. Müller, A. Schindlmayr, S. Blügel, in: C. Di Valentin, S. Botti, M. Cococcioni (Eds.), First Principles Approaches to Spectroscopic Properties of Complex Materials, Springer, Berlin, Heidelberg, 2014, pp. 259–301.
LibreCat
| Files available
| DOI
| WoS
| PubMed | Europe PMC
C. Friedrich, E. Şaşıoğlu, M. Müller, A. Schindlmayr, S. Blügel, in: C. Di Valentin, S. Botti, M. Cococcioni (Eds.), First Principles Approaches to Spectroscopic Properties of Complex Materials, Springer, Berlin, Heidelberg, 2014, pp. 259–301.
2014 | Book Chapter | LibreCat-ID: 18472
The GW approximation for the electronic self-energy
A. Schindlmayr, in: V. Bach, L. Delle Site (Eds.), Many-Electron Approaches in Physics, Chemistry and Mathematics, Springer, Cham, 2014, pp. 343–357.
LibreCat
| Files available
| DOI
A. Schindlmayr, in: V. Bach, L. Delle Site (Eds.), Many-Electron Approaches in Physics, Chemistry and Mathematics, Springer, Cham, 2014, pp. 343–357.