| Journal of Physical Chemistry B 2005 T. Bucko |
| Title | Subject | Authors |
|---|
| A density functional theory study of molecular and dissociative adsorption of H(sub 2) on active sites in mordenite. | Chemicals, plastics and rubber industries | J. Hafner, L. Benco, H. Toulhoat, T. Bucko |
| Adsorption and vibrational spectroscopy of CO on mordenite: Ab initio density-functional study.(Carbon monoxide) | Chemicals, plastics and rubber industries | J. Hafner, L. Benco, T. Bucko |
| Periodic DFT calculations of the stability of Al/Si substitutions and extraframework Zn(super 2+) cations in mordenite and reaction pathway for the dissociation of H(sub 2) and CH(sub 4).(density functional theory) | Chemicals, plastics and rubber industries | J. Hafner, L. Benco, H. Toulhoat, T. Bucko |
| Theoretical investigation of CO interaction with copper sites in zeolites: Periodic DFT and hybrid quantum mechanical/interatomic potential function study. | Chemicals, plastics and rubber industries | Petr Nachtigall, J. Hafner, L. Benco, T. Bucko, Ota Bludsky, Martin Silhan |
This website is not affiliated with document authors or copyright owners. This page is provided for informational purposes only. Unintentional errors are possible.
