Publications of Klaus Hermann

Hermann, K. and M. Witko: Theory of physical and chemical behavior of transition metal oxides: vanadium and molybdenum oxides. In: Oxide surfaces. (The Chemical Physics of Solid Surfaces, Vol. 9). Elsevier, Amsterdam, 136–198 (2001).

Witko, M., K. Hermann, R. Tokarz, R. Druzinic and A. Chakrabarti: Electronic structure of vanadia systems: Systematic theoretical studies. In: Metal-ligand interactions in chemistry, physics and biology: proceedings of the NATO Advanced Study Institute. (Eds.): N. Russo and D.R. Salahub. (NATO ASI Series: Series C, Vol. 546). Kluwer, Dordrecht, 417–438 (2000).

Witko, M. and K. Hermann: Selective hydrocarbon oxidation at vanadium pentoxide surfaces: Ab initio cluster model studies. In: New Developments in Selective Oxidation II. (Eds.): V. Cortés Corberán and S. Vic Bellón. (Studies in Surface Science and Catalysis, Vol. 82). Elsevier, Amsterdam, 75–81 (1994).

Hermann, K.: Theory of Surface Clusters in External Fields: Influence of Multipole Embedding on Local Adsorbate Binding. In: Cluster Models for Surface and Bulk Phenomena. (Eds.): G. Pacchioni, P.S. Bagus, and F. Parmigiani. (NATO ASI Series B, Vol. 283). Springer, Boston, MA, 209–221 (1992).

Gumhalter, B., K. Hermann and K. Wandelt: Lateral Surface Stark Effect in Chemisorbed Molecules. In: Selected Studies of Adsorption on Metal and Semiconductor Surfaces. (Ed.): M. Milun. Scientific Series of the International Bureau, Forschungszentrum Jülich GmbH, , 291–297 (1990).

Hermann, K., I. Czekaj and M. Witko: 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). National Science Foundation, Cancun, Mexico, 138 (2003).

Witko, M., K. Hermann, R. Tokarz and A. Michalak: Cluster studies on adsorption and reactions at the V₂O₅(010) surface. In: Preprints / American Chemical Society, Division of Petroleum Chemistry. 1, 94–97 (1997).

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