Publications of Klaus Hermann
All genres
Journal Article (108)
2013
Journal Article
52 (51), pp. 13553 - 13557 (2013)
How Strain Affects the Reactivity of Surface Metal Oxide Catalysts. Angewandte Chemie International Edition
Journal Article
125 (51), pp. 13796 - 13800 (2013)
Der Einfluss von strukturellen Spannungen auf die Reaktivität von getragenen Metalloxidkatalysatoren. Angewandte Chemie
Journal Article
138 (19), 194701 (2013)
Elementary steps of the catalytic NOx reduction with NH3: Cluster studies on adsorbate diffusion and dehydrogenation at vanadium oxide substrate. The Journal of Chemical Physics
Journal Article
138 (9), 094704 (2013)
Elementary steps of the catalytic NOx reduction with NH3: Cluster studies on reactant adsorption at vanadium oxide substrate. The Journal of Chemical Physics
Journal Article
117 (12), pp. 6225 - 6234 (2013)
Quantum-chemical investigation of hydrocarbon oxidative dehydrogenation over spin-active carbon catalyst clusters. The Journal of Physical Chemistry C 2012
Journal Article
116 (42), pp. 22449 - 22457 (2012)
Silica-Supported Titania Species: Structural Analysis from Quantum Theory and X-ray Spectroscopy. The Journal of Physical Chemistry C
Journal Article
24 (31), 314210 (2012)
Periodic overlayers and moiré patterns: theoretical studies of geometric properties. Journal of Physics: Condensed Matter
Journal Article
136 (1), 014705 (2012)
Self-metalation of 2H-tetraphenylporphyrin on Cu(111): An x-ray spectroscopy study. The Journal of Chemical Physics
Journal Article
137 (19), 194703 (2012)
X-ray absorption from large molecules at metal surfaces: Theoretical and experimental results for Co-OEP on Ni(100). The Journal of Chemical Physics 2011
Journal Article
115, pp. 15449 - 15458 (2011)
Structural Analysis of Silica-Supported Molybdena Based on X-ray Spectroscopy: Quantum Theory and Experiment. The Journal of Physical Chemistry C 2010
Journal Article
604 (19-20), pp. 1544 - 1547 (2010)
A standard format for reporting atomic positions: Further needs and options. Surface Science
Journal Article
114 (14), pp. 6791 - 6801 (2010)
Theoretical cluster studies on the catalytic sulfidation of MoO3. Journal of Physical Chemistry C
Journal Article
114, pp. 13630 - 13641 (2010)
CO and NO Adsorption and Dissociation at the Β-Mo2C(0001) Surface: A Density Functional Theory Study. The Journal of Physical Chemistry C
Journal Article
1, pp. 2974 - 2979 (2010)
Complex Molecules on a Flat Metal Surface: Large Distortions Induced by Chemisorption Can Make Physisorption Energetically More Favorable. The Journal of Physical Chemistry Letters 2009
Journal Article
113 (47), pp. 20307 - 20315 (2009)
Temperature, surface, and coverage-induced conformational changes of azobenzene derivatives on Cu(001). Journal of Physical Chemistry C
Journal Article
312 (1-2), pp. 7 - 17 (2009)
CO hydrogenation reaction on sulfided molybdenum catalysts. Journal of Molecular Catalysis A
Journal Article
52 (8), pp. 1105 - 1115 (2009)
Electronic structure of unsaturated V2O5(001) and (100) surfaces: Ab initio density functional theory studies. Topics in Catalysis
Journal Article
246 (7), pp. 1459 - 1469 (2009)
Methodology for the structural characterisation of VxOy species supported on silica under reaction conditions by means of in situ O K-edge X-ray absorption spectroscopy. Physica Status Solidi B
Journal Article
262 (2), pp. 215 - 223 (2009)
Analysis of silica-supported vanadia by X-ray absorption spectroscopy: Combined theoretical and experimental studies. Journal of Catalysis 2008
Journal Article
602 (6), pp. 1267 - 1279 (2008)
The local structure of OH species on the V2O3(0001) surface: A scanned-energy mode photoelectron diffraction study. Surface Science