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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 samplingT Bucko, J HafnerThe Journal of Physical Chemistry. B|July 21, 2006
Adsorption and vibrational spectroscopy of CO on mordenite: Ab initio density-functional studyT Bucko, J Hafner, L BencoThe Journal of Chemical Physics|July 23, 2004
Adsorption and vibrational spectroscopy of ammonia at mordenite: ab initio studyT Bucko, J Hafner, L BencoThe Journal of Physical Chemistry. B|July 21, 2006
A density functional theory study of molecular and dissociative adsorption of H2 on active sites in mordeniteL Benco, T Bucko, J Hafner, et al.The Journal of Physical Chemistry. A|June 15, 2007
Carbocation branching observed in a simulationA L L East, T Bucko, J HafnerThe 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 CH4L 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 studyOta Bludský, Martin Silhan, Petr Nachtigall, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|June 23, 2011
Ab initio calculations of free-energy reaction barriersT BuckoTherapeutische Umschau. Revue Therapeutique|October 3, 1998
[Therapy of non-melanocytic skin tumors]J HafnerPageof 29