Wolf Gero Schmidt
Orcid: 0000-0002-2717-5076Affiliations:
- University of Paderborn, Department of Physics, Germany
According to our database1,
Wolf Gero Schmidt
authored at least 19 papers
between 2008 and 2022.
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Bibliography
2022
J. Comput. Chem., 2022
2020
Photocatalytic properties of graphene-supported titania clusters from density-functional theory.
J. Comput. Chem., 2020
2019
Impact of finite-temperature and condensed-phase effects on theoretical X-ray absorption spectra of transition metal complexes.
J. Comput. Chem., 2019
2017
[Cu<sub>6</sub>(NGuaS)<sub>6</sub>]<sup>2+</sup> and its oxidized and reduced derivatives: Confining electrons on a torus.
J. Comput. Chem., 2017
Current density analysis of electron transport through molecular wires in open quantum systems.
J. Comput. Chem., 2017
Efficient PAW-based bond strength analysis for understanding the In/Si(111)(8 × 2) - (4 × 1) phase transition.
J. Comput. Chem., 2017
2016
Density functional theory of the Cu<sub>A</sub>-like Cu<sub>2</sub>S<sub>2</sub> diamond core in Cu 2II(NGuaS)<sub>2</sub>Cl<sub>2</sub>.
J. Comput. Chem., 2016
Optical response of the Cu<sub>2</sub>S<sub>2</sub> diamond core in Cu2II(NGuaS)<sub>2</sub>Cl<sub>2</sub>.
J. Comput. Chem., 2016
2015
The Cu<sub>2</sub>O<sub>2</sub> torture track for a real-life system: [Cu<sub>2</sub>(btmgp)<sub>2</sub>O<sub>2</sub>]<sup>2+</sup> oxo and peroxo species in density functional calculations.
J. Comput. Chem., 2015
Corrigendum: Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (Part II).
J. Comput. Chem., 2015
2014
Geometrical and optical benchmarking of copper guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory.
J. Comput. Chem., 2014
Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (part II).
J. Comput. Chem., 2014
2013
Bis-μ-oxo and μ-η<sup>2</sup>: η<sup>2</sup>-peroxo dicopper complexes studied within (time-dependent) density-functional and many-body perturbation theory.
J. Comput. Chem., 2013
Proceedings of the High Performance Computing in Science and Engineering '13, 2013
Lithium Niobate Dielectric Function and Second-Order Polarizability Tensor From Massively Parallel Ab Initio Calculations.
Proceedings of the High Performance Computing in Science and Engineering '13, 2013
2011
Proceedings of the High Performance Computing in Science and Engineering '11, 2011
Entropy and Metal-Insulator Transition in Atomic-Scale Wires: The Case of In-Si(111)(4×1)/(8×2).
Proceedings of the High Performance Computing in Science and Engineering '11, 2011
2010
Proceedings of the High Performance Computing in Science and Engineering '10, 2010
2008
Understanding Molecular Recognition and Self-Assembly from Large-Scale Numerical Simulations.
Proceedings of the High Performance Computing on Vector Systems 2008, 2008