Wolf Gero Schmidt

Publication Activity (10 Years)

Years Active: 2013-2022
Publications (10 Years): 8

Top Topics

Printed Circuit Boards

Perturbation Theory

Density Function

Top Venues

J. Comput. Chem.

Publications

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) (2022)
Sabuhi V. Badalov, René Wilhelm, Wolf Gero Schmidt
Photocatalytic properties of graphene-supported titania clusters from density-functional theory. J. Comput. Chem. 41 (21) (2020)
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) (2019)
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) (2017)
Daijiro Nozaki, Wolf Gero Schmidt
Current density analysis of electron transport through molecular wires in open quantum systems. J. Comput. Chem. 38 (19) (2017)
Matthias Witte, Martin Rohrmüller, Uwe Gerstmann, Gerald Henkel, Wolf Gero Schmidt, Sonja Herres-Pawlis
and its oxidized and reduced derivatives: Confining electrons on a torus. J. Comput. Chem. 38 (20) (2017)
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
. J. Comput. Chem. 37 (24) (2016)
Matthias Witte, Uwe Gerstmann, Adam Neuba, Gerald Henkel, Wolf Gero Schmidt
. J. Comput. Chem. 37 (11) (2016)
Alexander Hoffmann, Martin Rohrmüller, Anton Jesser, Ines dos Santos Vieira, Wolf Gero Schmidt, Sonja Herres-Pawlis
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. 36 (4) (2015)
Martin Rohrmüller, Alexander Hoffmann, Christian Thierfelder, Sonja Herres-Pawlis, Wolf Gero Schmidt
oxo and peroxo species in density functional calculations. J. Comput. Chem. 36 (22) (2015)
Anton Jesser, Martin Rohrmüller, Wolf Gero Schmidt, Sonja Herres-Pawlis
Geometrical and optical benchmarking of copper guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory. J. Comput. Chem. 35 (1) (2014)
Alexander Hoffmann, Martin Rohrmüller, Anton Jesser, Ines dos Santos Vieira, Wolf Gero Schmidt, Sonja Herres-Pawlis
Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (part II). J. Comput. Chem. 35 (29) (2014)
Martin Rohrmüller, Sonja Herres-Pawlis, Matthias Witte, Wolf Gero Schmidt
-peroxo dicopper complexes studied within (time-dependent) density-functional and many-body perturbation theory. J. Comput. Chem. 34 (12) (2013)