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Desai, Sanket K., Pallassana, Venkataraman, Neurock, Matthew (2001) A Periodic Density Functional Theory Analysis of the Effect of Water Molecules on Deprotonation of Acetic Acid over Pd(111). The Journal of Physical Chemistry B, 105 (38). 9171-9182 doi:10.1021/jp002797m

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Reference TypeJournal (article/letter/editorial)
TitleA Periodic Density Functional Theory Analysis of the Effect of Water Molecules on Deprotonation of Acetic Acid over Pd(111)
JournalThe Journal of Physical Chemistry B
AuthorsDesai, Sanket K.Author
Pallassana, VenkataramanAuthor
Neurock, MatthewAuthor
Year2001 (September)Volume105
Issue38
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/jp002797mSearch in ResearchGate
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Mindat Ref. ID3854562Long-form Identifiermindat:1:5:3854562:5
GUID0
Full ReferenceDesai, Sanket K., Pallassana, Venkataraman, Neurock, Matthew (2001) A Periodic Density Functional Theory Analysis of the Effect of Water Molecules on Deprotonation of Acetic Acid over Pd(111). The Journal of Physical Chemistry B, 105 (38). 9171-9182 doi:10.1021/jp002797m
Plain TextDesai, Sanket K., Pallassana, Venkataraman, Neurock, Matthew (2001) A Periodic Density Functional Theory Analysis of the Effect of Water Molecules on Deprotonation of Acetic Acid over Pd(111). The Journal of Physical Chemistry B, 105 (38). 9171-9182 doi:10.1021/jp002797m
In(2001, September) The Journal of Physical Chemistry B Vol. 105 (38) American Chemical Society (ACS)

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Desai, Sanket K., Neurock, Matthew, Kourtakis, K. (2002) A Periodic Density Functional Theory Study of the Dehydrogenation of Methanol over Pt(111). The Journal of Physical Chemistry B, 106 (10). 2559-2568 doi:10.1021/jp0132984
Pallassana, Venkataraman, Neurock, Matthew (2000) First-Principles Periodic Density Functional Study of the Hydrogenation of Maleic Anhydride to Succinic Anhydride over Palladium(111). The Journal of Physical Chemistry B, 104 (40). 9449-9459 doi:10.1021/jp0008703
Pallassana, Venkataraman, Neurock, Matthew, Lusvardi, Victor S., Lerou, Jan J., Kragten, David D., van Santen, Rutger A. (2002) A Density Functional Theory Analysis of the Reaction Pathways and Intermediates for Ethylene Dehydrogenation over Pd(111). The Journal of Physical Chemistry B, 106 (7). 1656-1669 doi:10.1021/jp012143t
Pallassana, Venkataraman, Neurock, Matthew (2002) Reaction Paths in the Hydrogenolysis of Acetic Acid to Ethanol over Pd(111), Re(0001), and PdRe Alloys. Journal of Catalysis, 209. 289-305 doi:10.1006/jcat.2002.3585
Hansen, Eric, Neurock, Matthew (2001) First-Principles Based Kinetic Simulations of Acetic Acid Temperature Programmed Reaction on Pd(111). The Journal of Physical Chemistry B, 105 (38). 9218-9229 doi:10.1021/jp0103427
Pallassana, Venkataraman, Neurock, Matthew, Coulston, George W. (1999) Theoretical Density Functional Analysis of Maleic Anhydride Chemisorption on Pd(111), Re(0001), and Bimetallic PdML/Re(0001) and PdML/Mo(110) Pseudomorphic Overlayers. The Journal of Physical Chemistry B, 103 (42). 8973-8983 doi:10.1021/jp991519o
Pallassana, Venkataraman, Neurock, Matthew (1999) Theoretical density functional study of the hydrogenation of maleic acid over Pd and Re surfaces. Chemical Engineering Science, 54 (15). 3423-3431 doi:10.1016/s0009-2509(98)00451-5
Pallassana, Venkataraman, Neurock, Matthew, Hansen, Lars B., Hammer, Bjørk, Nørskov, Jens K. (1999) Theoretical analysis of hydrogen chemisorption on Pd(111), Re(0001) andPdML/Re(0001),ReML/Pd(111)pseudomorphic overlayers. Physical Review B, 60 (8) 6146-6154 doi:10.1103/physrevb.60.6146
Pallassana, Venkataraman, Neurock, Matthew, Hansen, Lars B., Nørskov, Jens K. (2000) First principles analysis of hydrogen chemisorption on Pd–Re alloyed overlayers and alloyed surfaces. The Journal of Chemical Physics, 112 (12). 5435-5439 doi:10.1063/1.481119
Desai, Sanket K., Neurock, Matthew (2003) First-principles study of the role of solvent in the dissociation of water over a Pt-Ru alloy. Physical Review B, 68 (7) doi:10.1103/physrevb.68.075420
Palmer, Michael S., Neurock, Matthew, Olken, Michael M. (2002) Periodic Density Functional Theory Study of the Dissociative Adsorption of Molecular Oxygen over La2O3. The Journal of Physical Chemistry B, 106 (25). 6543-6547 doi:10.1021/jp020492x
 
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