| 1 |
Reaction paths in the hydrogenolysis of acetic acid to ethanol over Pd(111), Re(0001), and PdRe alloys
Pallassana V, Neurock M
Journal of Catalysis, 209(2), 289, 2002 |
| 2 |
A density functional theory analysis of the reaction pathways and intermediates for ethylene dehydrogenation over Pd(111)
Pallassana V, Neurock M, Lusvardi VS, Lerou JJ, Kragten DD, van Santen RA
Journal of Physical Chemistry B, 106(7), 1656, 2002 |
| 3 |
A periodic density functional theory analysis of the effect of water molecules on deprotonation of acetic acid over Pd(III)
Desai SK, Pallassana V, Neurock M
Journal of Physical Chemistry B, 105(38), 9171, 2001 |
| 4 |
Electronic factors governing ethylene hydrogenation and dehydrogenation activity of pseudomorphic Pd-ML/Re(0001), Pd-ML/Ru(0001), Pd(111), and Pd-ML/Au(111) surfaces
Pallassana V, Neurock M
Journal of Catalysis, 191(2), 301, 2000 |
| 5 |
First principles analysis of hydrogen chemisorption on Pd-Re alloyed overlayers and alloyed surfaces
Pallassana V, Neurock M, Hansen LB, Norskov JK
Journal of Chemical Physics, 112(12), 5435, 2000 |
| 6 |
First-principles periodic density functional study of the hydrogenation of maleic anhydride to succinic anhydride over palladium(111)
Pallassana V, Neurock M
Journal of Physical Chemistry B, 104(40), 9449, 2000 |
| 7 |
The importance of transient states at higher coverages in catalytic reactions
Neurock M, Pallassana V, van Santen RA
Journal of the American Chemical Society, 122(6), 1150, 2000 |
| 8 |
Towards understanding the mechanism for the selective hydrogenation of maleic anhydride to tetrahydrofuran over palladium
Pallassana V, Neurock M, Coulston G
Catalysis Today, 50(3-4), 589, 1999 |
| 9 |
Theoretical density functional study of the hydrogenation of maleic acid over Pd and Re surfaces
Pallassana V, Neurock M
Chemical Engineering Science, 54(15-16), 3423, 1999 |
| 10 |
Theoretical density functional analysis of maleic anhydride chemisorption on Pd(111), Re(0001), and bimetallic Pd-ML/Re(0001) and Pd-ML//Mo(110) pseudomorphic overlayers
Pallassana V, Neurock M, Coulston GW
Journal of Physical Chemistry B, 103(42), 8973, 1999 |
