Journal of Physical Chemistry B 2004 Claudio M. Zicovich-Wilson - Abstracts
| Journal of Physical Chemistry B 2004 Claudio M. Zicovich-Wilson | |||||
| Title | Subject | Authors | |||
|---|---|---|---|---|---|
| Can Cu+-exchanged zeolites store molecular hydrogen? An ab-initio periodic study compared with low temperature FTIR. | Chemicals, plastics and rubber industries | Piero Ugliengo, Xavier Solans-Monfot, Vicene Branchadell, Marionna Sodupe, Claudio M. Zicovich-Wilson, Evgueny Gribov, Giuseppe Spoto, Claudia Busco | |||
| Modeling soot and its functionalization under atmospheric or combustion conditions by density functional theory within molecular (polycyclic-aromatic-hydrocarbon-like) and periodic methodologies. | Chemicals, plastics and rubber industries | Claudio M. Zicovich-Wilson, Giovanni Ghigo, Andrea Maranzana, Glauco Tonachini, Mauro Causa | |||
| Periodic ab initio study of the electronic structure of alpha-Al2O3 and AIN(w) surfaces based on localized Wannier functions. | Chemicals, plastics and rubber industries | Claudio M. Zicovich-Wilson, Geyser Fernandez-Cata, Luis Javier Alvarez, Roberto Dovesi | |||
| Structural, electronic, and vibrational properties of the Ti-O-Ti quantum wires in the titanosilicate ETS-10. | Chemicals, plastics and rubber industries | Carlo Lamberti, Bartolomeo Civalleri, Claudio M. Zicovich-Wilson, Alessandro Damin, Francesc X. LIabres i Xamena, Andriano Zecchina | |||
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