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Handzlik, Jarosław (2009) DFT study of molybdena–silica system – A selection of density functionals based on their performance in thermochemistry of molybdenum compounds. Chemical Physics Letters, 469. 140-144 doi:10.1016/j.cplett.2008.12.056

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Reference TypeJournal (article/letter/editorial)
TitleDFT study of molybdena–silica system – A selection of density functionals based on their performance in thermochemistry of molybdenum compounds
JournalChemical Physics Letters
AuthorsHandzlik, JarosławAuthor
Year2009 (February)Volume469
PublisherElsevier BV
DOIdoi:10.1016/j.cplett.2008.12.056Search in ResearchGate
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Mindat Ref. ID5924499Long-form Identifiermindat:1:5:5924499:8
GUID0
Full ReferenceHandzlik, Jarosław (2009) DFT study of molybdena–silica system – A selection of density functionals based on their performance in thermochemistry of molybdenum compounds. Chemical Physics Letters, 469. 140-144 doi:10.1016/j.cplett.2008.12.056
Plain TextHandzlik, Jarosław (2009) DFT study of molybdena–silica system – A selection of density functionals based on their performance in thermochemistry of molybdenum compounds. Chemical Physics Letters, 469. 140-144 doi:10.1016/j.cplett.2008.12.056
In(n.d.) Chemical Physics Letters Vol. 469. Elsevier BV

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Handzlik, Jarosław, Kurleto, Kamil (2013) Assessment of density functional methods for thermochemistry of chromium oxo compounds and their application in a study of chromia–silica system. Chemical Physics Letters, 561. 87-91 doi:10.1016/j.cplett.2013.01.032
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
Liu, Xueping, Bereźniak, Tomasz, Panek, Jarosław Jan, Jezierska-Mazzarello, Aneta (2013) Theoretical study of zeatin – A plant hormone and potential drug for neural diseases – On the basis of DFT, MP2 and target docking. Chemical Physics Letters, 557. 140-144 doi:10.1016/j.cplett.2012.12.034
HANDZLIK, J, SAUTET, P (2008) Active sites of olefin metathesis on molybdena-alumina system: A periodic DFT study. Journal of Catalysis, 256. 1-14 doi:10.1016/j.jcat.2008.02.016
Gierada, Maciej, Petit, Ivan, Handzlik, Jarosław, Tielens, Frederik (2016) Hydration in silica based mesoporous materials: a DFT model. Physical Chemistry Chemical Physics, 18 (48). 32962-32972 doi:10.1039/c6cp05460a
Handzlik, Jarosław, Ogonowski, Jan (2012) Structure of Isolated Molybdenum(VI) and Molybdenum(IV) Oxide Species on Silica: Periodic and Cluster DFT Studies. The Journal of Physical Chemistry C, 116 (9). 5571-5584 doi:10.1021/jp207385h
Danilczuk, Marek, Pogocki, Dariusz, Lund, Anders (2009) Interaction of CH2OH with silver cation in Ag–A/CH3OH zeolite: A DFT study. Chemical Physics Letters, 469. 153-156 doi:10.1016/j.cplett.2008.12.060
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
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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