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CO/MgO(001) at different CO coverages: a periodic ab initio Hartree-Fock and B3-LYP study 2001 A. DAMIN; R. DOVESI; A. ZECCHINA; P. UGLIENGO
The role of isolated sites in heterogeneous catalysis: characterization and modeling 2001 S. Bordiga; A. Damin; G. Berlier; F. Bonino; G. Ricchiardi; A. Zecchina; C. Lamberti
Vibrational structure of Titanium silicate catalysts. A Spectroscopic theoretical study 2001 G. RICCHIARDI; A. DAMIN; S. BORDIGA; C. LAMBERTI; G. SPANÒ; F. RIVETTI; A. ZECCHINA
Effect of Ti insertion in the silicalite framework on the vibrational modes of the structure: an ab initio, and vibrational study 2001 A. ZECCHINA; A. DAMIN; G. RICCHIARDI; S. BORDIGA; F. RICCI; G. SPOTO; C. LAMBERTI
Hydroxyls nests in defective silicalites and strained structures derived upon dehydroxylation: vibrational properties and theoretical modelling 2001 S. BORDIGA; P. UGLIENGO; A. DAMIN; C. LAMBERTI; G. SPOTO; A. ZECCHINA; G. SPANÒ; R. BUZZONI; L. DALLORO; F. RIVETTI
Effect of interaction with H2O and NH3 on the vibrational, electronic, and energetic peculiarities of Ti(IV) centers TS-1 catalysts: A spectroscopic and computational study 2002 S. BORDIGA; A. DAMIN; F. BONINO; A. ZECCHINA; G. SPANÒ; F. RIVETTI; V. BOLIS; C. PRESTIPINO; C. LAMBERTI
The structure of the peroxo species in the TS-1 catalyst as investigated by resonant Raman spectroscopy 2002 S. BORDIGA; A. DAMIN; F. BONINO; G. RICCHIARDI; C. LAMBERTI; A. ZECCHINA
Are dispersive relevant for CO adsorption on the MgO(001) surface? 2002 P. UGLIENGO; A. DAMIN
In situ characterization of catalysts active in partial oxidations: TS-1 and Fe-MFI case studies 2002 A. ZECCHINA; S. BORDIGA; G. SPOTO; A. DAMIN; G. BERLIER; F. BONINO; C. PRESTIPINO; C. LAMBERTI
Reactivity of Ti(IV) sites in Ti-zeolites: An embedded cluster approach 2002 A. DAMIN; S. BORDIGA; A. ZECCHINA; C. LAMBERTI
Effect of NH3 adsorption on the structural and vibrational properties of TS-1 2002 A. DAMIN; F. BONINO; G. RICCHIARDI; S. BORDIGA; A. ZECCHINA; C. LAMBERTI
Are dispersive forces relevant for CO adsorption on the MgO(001) surface? 2002 P. UGLIENGO; A. DAMIN
Resonance Raman effects in TS-1: the structure of Ti(IV) species and reactivity towards H2O, NH3 and H2O2: an in situ study 2003 S. BORDIGA; A. DAMIN; F. BONINO; G. RICCHIARDI; A. ZECCHINA; R. TAGLIAPIETRA; C. LAMBERTI
Enhancement of the ETS-10 titanosilicate activity in the shape-selective photocatalytic degradation of large aromatic molecules by controlled defect production 2003 F.X.L.I. XAMENA; P. CALZA; C. LAMBERTI; C. PRESTIPINO; A. DAMIN; S. BORDIGA; E. PELIZZETTI; A. ZECCHINA
On the first stages of the ethylene polymerization on Cr2+/SiO2 Phillips catalyst: time and temperature resolved IR studies 2003 S. BORDIGA; S. BERTARIONE; A. DAMIN; C. PRESTIPINO; G. SPOTO; C. LAMBERTI; A. ZECCHINA
Temperature resolved FTIR spectroscopy of Cr2+/SiO2 catalysts: acetylene and methylacetylene oligomerisation 2003 A. ZECCHINA; S. BERTARIONE; A. DAMIN; D. SCARANO; C. LAMBERTI; C. PRESTIPINO; G. SPOTO; S. BORDIGA
Interaction of CD3CN and pyridine with the Ti(IV) centers of Ts-1 catalysts: a spectroscopic and computational study. 2003 F. BONINO; A. DAMIN; S. BORDIGA; C. LAMBERTI; A. ZECCHINA
Healing of defects in ETS-10 by selective UV irradiation: a Raman study 2003 F.X.L.I. XAMENA; A. DAMIN; S. BORDIGA; A. ZECCHINA
Ti-chabazite as a model system of Ti(IV) in Ti-zeolites: A periodic approach 2003 A. DAMIN; S. BORDIGA; A. ZECCHINA; K. DOLL; C. LAMBERTI
The IR spectra of Mg5C(2+)(CO) complexes on the (0 0 1) surfaces of polycrystalline and single crystal MgO 2003 G. SPOTO; E. GRIBOV; A. DAMIN; G. RICCHIARDI; A. ZECCHINA
Mostrati risultati da 1 a 20 di 119
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