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DFT study of adsorption and dissociation of thiophene molecules on Ni(1 1 0) |
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| Authors: | C. Morin A. Eichler R. Hirschl P. Sautet J. Hafner |
| Affiliation: | a Laboratoire de Chimie, UMR CNRS––École Normale Supérieure de Lyon, Rhone, 46 Allée d’Italie, F-69364, Lyon Cedex 07, France b Institut für Materialphysik and Center for Computational Materials Sciences, Universität Wien, Sensengasse 8/12, A-1090, Vienna, Austria |
| Abstract: | |
| Keywords: | Ab initio quantum chemical methods and calculations Catalysis Chemisorption Aromatics |
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