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Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
June 23, 2011
Ab initio calculations of free-energy reaction barriers
T Bucko
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 10, 2011
Entropy effects in hydrocarbon conversion reactions: free-energy integrations and transition-path sampling
T Bucko, J Hafner
The Journal of Physical Chemistry. B
|
July 21, 2006
Adsorption and vibrational spectroscopy of CO on mordenite: Ab initio density-functional study
T Bucko, J Hafner, L Benco
The Journal of Chemical Physics
|
July 23, 2004
Adsorption and vibrational spectroscopy of ammonia at mordenite: ab initio study
T Bucko, J Hafner, L Benco
The Journal of Physical Chemistry. B
|
July 21, 2006
A density functional theory study of molecular and dissociative adsorption of H2 on active sites in mordenite
L Benco, T Bucko, J Hafner, et al.
The Journal of Physical Chemistry. A
|
June 15, 2007
Carbocation branching observed in a simulation
A L L East, T Bucko, J Hafner
The Journal of Physical Chemistry. B
|
July 21, 2006
Periodic DFT calculations of the stability of Al/Si substitutions and extraframework Zn2+ cations in mordenite and reaction pathway for the dissociation of H2 and CH4
L Benco, T Bucko, J Hafner, et al.
The Journal of Physical Chemistry. B
|
July 21, 2006
Theoretical investigation of CO interaction with copper sites in zeolites: periodic DFT and hybrid quantum mechanical/interatomic potential function study
Ota Bludský, Martin Silhan, Petr Nachtigall, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
June 23, 2011
Ab initio calculations of free-energy reaction barriers
T Bucko
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 10, 2011
Entropy effects in hydrocarbon conversion reactions: free-energy integrations and transition-path sampling
T Bucko, J Hafner
The Journal of Physical Chemistry. B
|
July 21, 2006
Adsorption and vibrational spectroscopy of CO on mordenite: Ab initio density-functional study
T Bucko, J Hafner, L Benco
The Journal of Chemical Physics
|
July 23, 2004
Adsorption and vibrational spectroscopy of ammonia at mordenite: ab initio study
T Bucko, J Hafner, L Benco
The Journal of Physical Chemistry. B
|
July 21, 2006
A density functional theory study of molecular and dissociative adsorption of H2 on active sites in mordenite
L Benco, T Bucko, J Hafner, et al.
The Journal of Physical Chemistry. A
|
June 15, 2007
Carbocation branching observed in a simulation
A L L East, T Bucko, J Hafner
The Journal of Physical Chemistry. B
|
July 21, 2006
Periodic DFT calculations of the stability of Al/Si substitutions and extraframework Zn2+ cations in mordenite and reaction pathway for the dissociation of H2 and CH4
L Benco, T Bucko, J Hafner, et al.
The Journal of Physical Chemistry. B
|
July 21, 2006
Theoretical investigation of CO interaction with copper sites in zeolites: periodic DFT and hybrid quantum mechanical/interatomic potential function study
Ota Bludský, Martin Silhan, Petr Nachtigall, et al.
Page
of 1