Publications of Klaus Hermann
All genres
Book Chapter (12)
Book Chapter
Theory of physical and chemical behavior of transition metal oxides: vanadium and molybdenum oxides. In: Oxide surfaces, pp. 136 - 198. Elsevier, Amsterdam (2001)
Book Chapter
Electronic structure of vanadia systems: Systematic theoretical studies. In: Metal-ligand interactions in chemistry, physics and biology: proceedings of the NATO Advanced Study Institute, pp. 417 - 438 (Eds. Russo, N.; Salahub, D. R.). Kluwer, Dordrecht (2000)
Book Chapter
Selective hydrocarbon oxidation at vanadium pentoxide surfaces: Ab initio cluster model studies. In: New Developments in Selective Oxidation II, pp. 75 - 81 (Eds. Cortés Corberán, V.; Vic Bellón, S.). Elsevier, Amsterdam (1994)
Book Chapter
Theory of Surface Clusters in External Fields: Influence of Multipole Embedding on Local Adsorbate Binding. In: Cluster Models for Surface and Bulk Phenomena, pp. 209 - 221 (Eds. Pacchioni, G.; Bagus, P. S.; Parmigiani, F.). Springer, Boston, MA (1992)
Book Chapter
Lateral Surface Stark Effect in Chemisorbed Molecules. In: Selected Studies of Adsorption on Metal and Semiconductor Surfaces, pp. 291 - 297. Scientific Series of the International Bureau, Forschungszentrum Jülich GmbH (1990)
Conference Paper (2)
Conference Paper
Importance of relaxation on the electronic structure of differently terminated vanadium sesquioxide surfaces: ab initio DFT studies. In: Proceedings of the 18th North American Catalysis Society Meeting (NACS 2003), p. 138. 18th North American Catalysis Society Meeting (NACS 2003), Cancun, Mexico, June 01, 2003 - June 06, 2003. National Science Foundation, Cancun, Mexico (2003)
Conference Paper
42, 1 Ed., pp. 94 - 97 (1997)
Cluster studies on adsorption and reactions at the V2O5(010) surface. Symposium on Studies on Heavy Hydrocarbon Conversion . Preprints / American Chemical Society, Division of Petroleum Chemistry Talk (40)
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Compact Cubic Nanoparticles: Structural Properties. CRF Seminar, ICTS, Hong Kong Baptist University, Hong Kong, China (2019)
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Graphene and Other Overlayers at Surfaces: Interference Lattices and Moiré Patterns. Faculty of Physics and Applied Informatics, University of Lodz, Łódź, Poland (2019)
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Compact Cubic Nanoparticles MeN(n, m): Structural Properties. CRF Seminar, Hong Kong Baptist University, Hong Kong, China (2019)
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Fragment Motion in Motor Molecules: Basic Concepts and Application to Intra-molecular Rotations. Seminar, Supercomputer Professional, Institute for Materials Research, Tohoku University Center for Computational Materials Science, Sendai, Japan (2018)
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Mechanical Analysis of Rotor Molecules: Theoretical Concepts and Applications. International Symposium on Nanomachines: Powering Molecules, Hong Kong, China (2017)
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Relative Fragment Forces and Torques in Molecular Systems. CRF Seminar, Hong Kong Baptist University, Hong Kong, China (2017)
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Classical Analysis of Molecular Motion: Stilbene as a Test Case. CRF Seminar, Hong Kong Baptist University, Hong Kong, China (2017)
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Graphene and Other Overlayers Forming Interference Lattices: a Unified Theoretical Treatment. Seminar, School of Physics, Shandong University, Jinan, Shandong, China (2017)
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Theoretical X-ray Spectroscopy, DFT Cluster Studies for Systems of Catalytic Relevance. Seminar, Chemistry Department, Taian University, Taian, Shandong, China (2017)
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Theoretical X-ray Spectroscopy, DFT Cluster Studies for Systems of Catalytic Relevance. Seminar, Chemistry Department, Qufu Normal University, Qufu, Shandong, China (2017)
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Translation, Rotation, Flexibility of a Cluster, Memories from Classical Mechanics. CRF Seminar, Hong Kong Baptist University, Hong Kong, China (2016)
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Structure and Reactivity of Biocatalytic Centers: DFT Studies on Vanadium Oxo-Peroxo Species. 16th International Conference on Theoretical Aspects of Catalysis (ICTAC-16), Zakopane, Poland (2016)
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Molecular Switches and Machines: Electronic, Magnetic, Geometric. CRF Seminar, Hong Kong Baptist University, Hong Kong, China (2016)