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Ab initio and semiempirical investigations of the complexation of methyl pyruvate by ammonia and the ammonium cation Schwalm, Olivier; Weber, Jacques; Margitfalvi, József; Baiker, Alfons 1993
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Enantioselective hydrogenation of α-ketoesters over Pt/alumina modified with cinchonidine : theoretical investigation of the substrate-modifier interaction Schwalm, Olivier; Minder, Bruno; Weber, Jacques; Baiker, Alfons 1994
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Theoretical investigation of the enantioselective hydrogenation of a-ketoesters over Pt/Alumina modified with cinchonidine Schwalm, Olivier; Weber, Jacques; Minder, Bruno; Baiker, Alfons 1994
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A theoretical investigation of the enantioselective hydrogenation mechanism of alpha-ketoesters Schwalm, Olivier; Weber, Jacques; Minder, Bruno; Baiker, Alfons 1995
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Enantioselective hydrogenation of ketopantolactone Schürch, Markus; Schwalm, Olivier; Mallat, T.; Weber, Jacques; Baiker, Alfons 1997
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Mechanism of the vanadium oxide-catalyzed selective reduction of NO by NH3. A quantum chemical modeling Gilardoni, François; Weber, Jacques; Baiker, Alfons 1997
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Density functional investigation of the mechanism of the selective catalytic reduction of NO by NH3 over vanadium oxide model clusters Gilardoni, François; Weber, Jacques; Baiker, Alfons 1997
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Conformational Behavior of Cinchonidine in Different Solvents:  A Combined NMR and ab Initio Investigation Buergi, Thomas; Baiker, Alfons 1998
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Cobalt-catalyzed amination of 1,3-propanediol. Effects of catalyst promotion and use of supercritical ammonia as solvent and reactant Fischer, A.; Maciejewski, M.; Buergi, Thomas; Mallat, T.; Baiker, Alfons 1999
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Enantioselective hydrogenation of a,b-unsaturated carboxylic acid over cinchonidine modified palladium: Nature of modifier - reactant interaction Borszeky, K.; Buergi, Thomas; Zhaohui, Z.; Mallat, T.; Baiker, Alfons 1999
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Enantioselective Hydrogenation on Chirally Modified Platinum: New Insight into the Adsorption Mode of the Modifier Buergi, Thomas; Zhou, Zhaohui; Künzle, Niklaus; Mallat, Tamas; Baiker, Alfons 1999
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Adsorption mode of ethyl pyruvate on platinum: An in situ XANES study Buergi, Thomas; Atamny, Fachri; Knop-Gericke, A.; Hävecker, M.; ... Baiker, Alfons 2000
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Conformational isomerism of a-ketoesters: A FTIR and ab initio study Ferri, Davide; Buergi, Thomas; Baiker, Alfons 2000
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Vanadia and tungsta grafted TiO2: Influence of the grafting sequence on structural and chemical properties Reiche, M. A.; Buergi, Thomas; Baiker, Alfons; Scholz, A.; ... Wokaun, A. 2000
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Enhanced enantioselectivity in ethyl pyruvate hydrogenation due to competing enantioselective aldol reaction catalyzed by cinchonidine Ferri, Davide; Buergi, Thomas; Borszeky, K.; Mallat, T.; Baiker, Alfons 2000
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Adsorption of ethyl pyruvate on Pt(111) studied by XPS and UPS Buergi, Thomas; Atamny, Fachri; Schlögl, Robert; Baiker, Alfons 2000
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Asymmetric hydrogenation of 4-hydroxy-6-methyl-2-pyrone: Role of acid-base interactions in the mechanism of enantiodifferentiation Huck, W. R.; Buergi, Thomas; Mallat, T.; Baiker, Alfons 2001
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Model of reactant-modifier interaction in enantioselective hydrogenation of ethyl pyruvate on platinum-cinchona catalyst: Extension to synthetic chiral modifiers Vargas, Angelo; Buergi, Thomas; Baiker, Alfons 2001
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Scanning tunneling microscopy image contrast of monolayer platinum on graphite Atamny, Fachri; Buergi, Thomas; Schlögl, R.; Baiker, Alfons 2001
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Nature of active sites in sol-gel TiO2-SiO2 epoxidation catalysts Beck, C.; Mallat, T.; Buergi, Thomas; Baiker, Alfons 2001
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