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Handzlik, Jarosław (2005) Metathesis Activity and Properties of Mo−Alkylidene Sites Differently Located on Silica. A Density Functional Theory Study. The Journal of Physical Chemistry B, 109 (44). 20794-20804 doi:10.1021/jp053517b

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Reference TypeJournal (article/letter/editorial)
TitleMetathesis Activity and Properties of Mo−Alkylidene Sites Differently Located on Silica. A Density Functional Theory Study
JournalThe Journal of Physical Chemistry B
AuthorsHandzlik, JarosławAuthor
Year2005 (November)Volume109
Issue44
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/jp053517bSearch in ResearchGate
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Mindat Ref. ID3864588Long-form Identifiermindat:1:5:3864588:2
GUID0
Full ReferenceHandzlik, Jarosław (2005) Metathesis Activity and Properties of Mo−Alkylidene Sites Differently Located on Silica. A Density Functional Theory Study. The Journal of Physical Chemistry B, 109 (44). 20794-20804 doi:10.1021/jp053517b
Plain TextHandzlik, Jarosław (2005) Metathesis Activity and Properties of Mo−Alkylidene Sites Differently Located on Silica. A Density Functional Theory Study. The Journal of Physical Chemistry B, 109 (44). 20794-20804 doi:10.1021/jp053517b
In(2005, November) The Journal of Physical Chemistry B Vol. 109 (44) American Chemical Society (ACS)

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Handzlik, Jarosław (2007) Properties and metathesis activity of monomeric and dimeric Mo centres variously located on γ-alumina – A DFT study. Surface Science, 601 (9). 2054-2065 doi:10.1016/j.susc.2007.03.002
Śliwa, Paweł, Handzlik, Jarosław (2010) Assessment of density functional methods for the study of olefin metathesis catalysed by ruthenium alkylidene complexes. Chemical Physics Letters, 493. 273-278 doi:10.1016/j.cplett.2010.05.066
Handzlik, Jarosław (2007) Theoretical Investigations of Isolated Mo(VI) and Mo(IV) Centers of a Molybdena−Silica Catalyst for Olefin Metathesis. The Journal of Physical Chemistry C, 111 (26). 9337-9348 doi:10.1021/jp071568y
Handzlik, Jarosław, Sautet, Philippe (2008) Structure of Isolated Molybdenum(VI) Oxide Species on γ-Alumina: A Periodic Density Functional Theory Study. The Journal of Physical Chemistry C, 112 (37). 14456-14463 doi:10.1021/jp802372e
Handzlik, Jarosław, Sautet, Philippe (2010) Structure of Dimeric Molybdenum(VI) Oxide Species on γ-Alumina: A Periodic Density Functional Theory Study. The Journal of Physical Chemistry C, 114 (45). 19406-19414 doi:10.1021/jp1068818
Abdallah, Wa'el A., Nelson, Alan E. (2005) Density Functional Theory Study of Pyrrole Adsorption on Mo(110). The Journal of Physical Chemistry B, 109 (21). 10863-10870 doi:10.1021/jp050565n
Handzlik, Jarosław (2004) Metathesis activity of monomeric Mo-methylidene centres on (100) and (110)C surfaces of γ-Al2O3––a comparative DFT study. Surface Science, 562 (1). 101-112 doi:10.1016/j.susc.2004.05.016
Benco, L., Bucko, T., Hafner, J., Toulhoat, H. (2005) A Density Functional Theory Study of Molecular and Dissociative Adsorption of H2on Active Sites in Mordenite. The Journal of Physical Chemistry B, 109 (47). 22491-22501 doi:10.1021/jp0533729
Fomine, Serguei, Ortega, Joel Vargas, Tlenkopatchev, Mikhail A. (2005) Density Functional Theory Study of Ruthenium Alkylidene Mediated Cross-Metathesis Reaction Pathways between Cycloolefins and Halogenated Olefins. Organometallics, 24. 5696-5701 doi:10.1021/om050497r
Mueller, Tim, Ceder, Gerbrand (2005) A Density Functional Theory Study of Hydrogen Adsorption in MOF-5. The Journal of Physical Chemistry B, 109 (38). 17974-17983 doi:10.1021/jp051202q
Pawluk, Tiffany, Hirata, Yasuhiro, Wang, Lichang (2005) Studies of Iridium Nanoparticles Using Density Functional Theory Calculations. The Journal of Physical Chemistry B, 109 (44). 20817-20823 doi:10.1021/jp053563b
 
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