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ORCIDUwe Gerstmann
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- affiliation: University of Paderborn, Germany
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Journal Articles
- 2022
[j6]Mitisha Jain, Uwe Gerstmann, Wolf Gero Schmidt, Hazem Aldahhak:
Adatom mediated adsorption of N-heterocyclic carbenes on Cu(111) and Au(111). J. Comput. Chem. 43(6): 413-420 (2022)- 2019
- [j5]Patrick Müller
, Kristof Karhan, Matthias Krack, Uwe Gerstmann, Wolf Gero Schmidt, Matthias Bauer, Thomas D. Kühne:
Impact of finite-temperature and condensed-phase effects on theoretical X-ray absorption spectra of transition metal complexes. J. Comput. Chem. 40(5): 712-716 (2019) - 2017
- [j4]Matthias Witte, Martin Rohrmüller, Uwe Gerstmann, Gerald Henkel, Wolf Gero Schmidt, Sonja Herres-Pawlis:
[Cu6(NGuaS)6]2+ and its oxidized and reduced derivatives: Confining electrons on a torus. J. Comput. Chem. 38(20): 1752-1761 (2017) - [j3]Andreas Lücke, Uwe Gerstmann, Thomas D. Kühne, Wolf Gero Schmidt:
Efficient PAW-based bond strength analysis for understanding the In/Si(111)(8 × 2) - (4 × 1) phase transition. J. Comput. Chem. 38(26): 2276-2282 (2017) - 2016
- [j2]Matthias Witte, Uwe Gerstmann, Adam Neuba, Gerald Henkel, Wolf Gero Schmidt:
Density functional theory of the CuA-like Cu2S2 diamond core in Cu 2II(NGuaS)2Cl2. J. Comput. Chem. 37(11): 1005-1018 (2016) - [j1]Matthias Witte, Benjamin Grimm-Lebsanft, Arne Goos, Stephan Binder, Michael Rübhausen, Martin Bernard, Adam Neuba, Serge I. Gorelsky, Uwe Gerstmann, Gerald Henkel, Wolf Gero Schmidt, Sonja Herres-Pawlis:
Optical response of the Cu2S2 diamond core in Cu2II(NGuaS)2Cl2. J. Comput. Chem. 37(24): 2181-2192 (2016)
Parts in Books or Collections
- 2013
- [p5]Arthus Riefer, Martin Rohrmüller, Marc Landmann, Simone Sanna, Eva Rauls, Nora Jenny Vollmers, Rebecca Hölscher, Matthias Witte, Yanlu Li, Uwe Gerstmann, Arno Schindlmayr, Wolf Gero Schmidt:
Lithium Niobate Dielectric Function and Second-Order Polarizability Tensor From Massively Parallel Ab Initio Calculations. High Performance Computing in Science and Engineering 2013: 93-104 - [p4]Simone Sanna, Arthus Riefer, Martin Rohrmüller, Marc Landmann, Eva Rauls, Nora Jenny Vollmers, Rebecca Hölscher, Matthias Witte, Yanlu Li, Uwe Gerstmann, Wolf Gero Schmidt:
Polarization Dependent Water Adsorption on the Lithium Niobate Z-Cut Surfaces. High Performance Computing in Science and Engineering 2013: 155-166 - 2011
- [p3]Wolf Gero Schmidt, Eva Rauls, Uwe Gerstmann, Simone Sanna, Marc Landmann, Martin Rohrmüller, Arthus Riefer, Stefan Wippermann, Stephan Blankenburg:
Copper Substrate Catalyzes Tetraazaperopyrene Polymerization. High Performance Computing in Science and Engineering 2011: 47-56 - [p2]Wolf Gero Schmidt, Eva Rauls, Uwe Gerstmann, Simone Sanna, Marc Landmann, Martin Rohrmüller, Arthus Riefer, Stefan Wippermann:
Entropy and Metal-Insulator Transition in Atomic-Scale Wires: The Case of In-Si(111)(4×1)/(8×2). High Performance Computing in Science and Engineering 2011: 131-139 - 2010
- [p1]Wolf Gero Schmidt, Stefan Wippermann, Eva Rauls, Uwe Gerstmann, Simone Sanna, Christian Thierfelder, Marc Landmann, L. S. dos Santos:
Si(111)-In Nanowire Optical Response from Large-scale Ab Initio Calculations. High Performance Computing in Science and Engineering 2010: 149-158
Coauthor Index
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