Bio
We haven't found any bio for you yet.
Researcher Links
Loading links...
Publications by Type
Loading publications…
The last 5 uploaded publications
Surface Adsorption Energetics Studied with “Gold Standard” Wave-Function-Based Ab Initio Methods: Small-Molecule Binding to TiO<sub>2</sub>(110)
Adam Kubas, Daniel Berger, Harald Oberhofer, Dimitrios Maganas, Karsten Reuter, Frank Neese (2016). Surface Adsorption Energetics Studied with “Gold Standard” Wave-Function-Based Ab Initio Methods: Small-Molecule Binding to TiO<sub>2</sub>(110). The Journal of Physical Chemistry Letters, 7(20), pp. 4207-4212, DOI: 10.1021/acs.jpclett.6b01845.
Article271 days agoRestricted Open-Shell Configuration Interaction Singles Study on M- and L-edge X-ray Absorption Spectroscopy of Solid Chemical Systems
Adam Kubas, Max Verkamp, Josh Vura‐Weis, Frank Neese, Dimitrios Maganas (2018). Restricted Open-Shell Configuration Interaction Singles Study on M- and L-edge X-ray Absorption Spectroscopy of Solid Chemical Systems. Journal of Chemical Theory and Computation, 14(8), pp. 4320-4334, DOI: 10.1021/acs.jctc.8b00302.
Article271 days agoA combined experimental and theoretical spectroscopic protocol for determination of the structure of heterogeneous catalysts: developing the information content of the resonance Raman spectra of M1 MoVO<sub>x</sub>
Adam Kubas, Johannes Noak, Annette Trunschke, Robert Schlögl, Frank Neese, Dimitrios Maganas (2017). A combined experimental and theoretical spectroscopic protocol for determination of the structure of heterogeneous catalysts: developing the information content of the resonance Raman spectra of M1 MoVO<sub>x</sub>. Chemical Science, 8(9), pp. 6338-6353, DOI: 10.1039/c7sc01771e.
Article271 days ago