Catalysis Today

Catalysis Today, Vol.177, No.1 Entire volume, number list

ISSN: 0920-5861 (Print)

In this Issue (11 articles)

1 - 2	The synergistic power of theory and experiment in the field of catalysis Preface Tielens F, Calatayud M
3 - 11	Conceptual chemistry approach towards the support effect in supported vanadium oxides: Valence bond calculations on the ionicity of vanadium catalysts Fievez T, De Proft F, Geerlings P, Weckhuysen BM, Havenith RWA
12 - 24	Experimental and theoretical IR study of methanol and ethanol conversion over H-SAPO-34 Hemelsoet K, Ghysels A, Mores D, De Wispelaere K, Van Speybroeck V, Weckhuysen BM, Waroquier M
25 - 30	A combined EXAFS and DFT study of the Ni2+ environment in dehydrated Ni/NaX Guesmi H, Massiani P
31 - 38	Formation of oxygen active species in Ag-modified CeO2 catalyst for soot oxidation: A DFT study Preda G, Pacchioni G
39 - 49	Synergy between iono-covalent bonds and van der Waals interactions in SAMs formation: A first-principles study of adsorption of carboxylic acids on the Zn-ZnO(0001) surface Islam MM, Diawara B, Marcus P, Costa D
50 - 54	Thermally activated transformation of the adsorption configurations of a complex molecule on a Cu(111) surface Shi XQ, Wang WH, Wang SY, Lin N, Van Hove MA
55 - 63	Theory meets experiment: Electrocatalysis of hydrogen oxidation/evolution at Pd-Au nanostructures Quaino P, Santos E, Wolfschmidt H, Montero MA, Stimming U
64 - 71	Experimental and theory studies of the oxidation reaction of neutral gold carbonyl clusters in the gas phase Xie Y, Dong F, Bernstein ER
72 - 78	Mechanism of the catalytic gas-phase aldehyde production from trinuclear W3S4 complexes bearing W-OEt groups Beltran TF, Feliz M, Llusar R, Safont VS, Vicent C
79 - 86	Competitive ligand/chelate binding in [Cu(TMPA)](+) and [Cu(tren)](+) based complexes Bonniard L, de la Lande A, Ulmer S, Piquemal JP, Parisel O, Gerard H