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Blaszkowski, S. R., Nascimento, M. A. C., van Santen, R. A. (1996) Activation of C−H and C−C Bonds by an Acidic Zeolite:  A Density Functional Study. The Journal of Physical Chemistry, 100 (9). 3463-3472 doi:10.1021/jp9523231

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Reference TypeJournal (article/letter/editorial)
TitleActivation of C−H and C−C Bonds by an Acidic Zeolite:  A Density Functional Study
JournalThe Journal of Physical Chemistry
AuthorsBlaszkowski, S. R.Author
Nascimento, M. A. C.Author
van Santen, R. A.Author
Year1996 (January)Volume100
Issue9
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/jp9523231Search in ResearchGate
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Mindat Ref. ID8045572Long-form Identifiermindat:1:5:8045572:9
GUID0
Full ReferenceBlaszkowski, S. R., Nascimento, M. A. C., van Santen, R. A. (1996) Activation of C−H and C−C Bonds by an Acidic Zeolite:  A Density Functional Study. The Journal of Physical Chemistry, 100 (9). 3463-3472 doi:10.1021/jp9523231
Plain TextBlaszkowski, S. R., Nascimento, M. A. C., van Santen, R. A. (1996) Activation of C−H and C−C Bonds by an Acidic Zeolite:  A Density Functional Study. The Journal of Physical Chemistry, 100 (9). 3463-3472 doi:10.1021/jp9523231
In(1996, January) The Journal of Physical Chemistry Vol. 100 (9) American Chemical Society (ACS)

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Blaszkowski, S. R., Jansen, A. P. J., Nascimento, M. A. C., van Santen, R. A. (1994) Density Functional Theory Calculations of the Transition States for Hydrogen Exchange and Dehydrogenation of Methane by a Broensted Zeolitic Proton. The Journal of Physical Chemistry, 98 (49). 12938-12944 doi:10.1021/j100100a021
Blaszkowski, S. R., van Santen, R. A. (1995) Density Functional Theory Calculations of the Activation of Methanol by a Broensted Zeolitic Proton. The Journal of Physical Chemistry, 99 (30). 11728-11738 doi:10.1021/j100030a017
Barbosa, Luis Antonio M. M., van Santen, Rutger A. (2003) Study of the Activation of C−H and H−H Chemical Bonds by the [ZnOZn]2+Oxycation:  Influence of the Zeolite Framework Geometry. The Journal of Physical Chemistry B, 107 (51). 14342-14349 doi:10.1021/jp030394r
Fahmi, A., van Santen, R. A. (1996) Density Functional Study of Ethylene Adsorption on Palladium Clusters. The Journal of Physical Chemistry, 100 (14). 5676-5680 doi:10.1021/jp953002s
Popa, C., van Santen, R. A., Jansen, A. P. J. (2007) Density-Functional Theory Study of NHxOxidation and Reverse Reactions on the Rh(111) Surface. The Journal of Physical Chemistry C, 111 (27). 9839-9852 doi:10.1021/jp071072g
Blaszkowski, Solange R., van Santen, Rutger A. (1997) Theoretical Study of C−C Bond Formation in the Methanol-to-Gasoline Process. Journal Of The American Chemical Society, 119 (21) 5020-5027 doi:10.1021/ja963530x
Meijer, E. L., van Santen, R. A., Jansen, A. P. J. (1996) Computation of the Infrared Spectrum of an Acidic Zeolite Proton Interacting with Acetonitrile. The Journal of Physical Chemistry, 100 (22). 9282-9291 doi:10.1021/jp951164i
Chen, M., Bates, S. P., van Santen, R. A., Friend, C. M. (1997) The Chemical Nature of Atomic Oxygen Adsorbed on Rh(111) and Pt(111):  A Density Functional Study. The Journal of Physical Chemistry B, 101 (48). 10051-10057 doi:10.1021/jp971499v
Holthausen, Max C., Fiedler, Andreas, Schwarz, Helmut, Koch, Wolfram (1996) How Does Fe+Activate C−C and C−H Bonds in Ethane? A Theoretical Investigation Using Density Functional Theory†. The Journal of Physical Chemistry, 100 (15). 6236-6242 doi:10.1021/jp952774l
Ciobica, I. M., van Santen, R. A. (2002) A DFT Study of CHxChemisorption and Transition States for C−H Activation on the Ru(112̄0) Surface. The Journal of Physical Chemistry B, 106 (24). 6200-6205 doi:10.1021/jp013210m
Rozanska, Xavier, van Santen, Rutger A., Hutschka, François (2002) A Periodic Density Functional Theory Study of Intermolecular Isomerization of Toluene and Benzene Catalyzed by Acidic Mordenite Zeolite:  Effect of the Zeolite Steric Constraints. The Journal of Physical Chemistry B, 106 (18). 4652-4657 doi:10.1021/jp014125h
 
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