Publications
- R. Ramprasad and S. R. Atlas, `Local quantities in defected bulk systems:
a density functional study', in preparation.
- R. Ramprasad and S. R. Atlas, `Defects in aluminum: a density functional
study', Materials Research Society Conference Proceedings: Microscopic
Simulation of Interfacial Phenomena in Solids and Liquids (Fall 1997,
Boston).
- D. Liao, K. M. Glassford, R. Ramprasad and J. B. Adams, `DFT-LDA study of
NO adsorption on Rh(110) surface', in preparation.
- R. Ramprasad, K. C. Hass, W. F. Schneider, J. B. Adams, `Cu-dinitrosyl
species in zeolites: a density functional molecular cluster study', J.
Phys. Chem. 101 (1997), 6903.
- W. F. Schneider, K. C. Hass, R. Ramprasad and J. B. Adams,
`First-principles analysis of elementary steps in the catalytic decomposition
of NO by Cu-exchanged zeolites', J. Phys. Chem. 101 (1997), 4353.
- R. Ramprasad, W. F. Schneider, K. C. Hass and J. B. Adams,
`A theoretical study of CO and NO vibrational frequencies in
Cu-water clusters and implications for Cu-exchanged
zeolites', J. Phys. Chem. 101 (1997), 1940.
- R. Ramprasad, K. M. Glassford, R. I. Masel and J. B. Adams, `CO on Pd(110):
Determination of the optimal adsorption site', Surf. Sci. 360 (1996), pp.31-42.
- W. F. Schneider, K. C. Hass, R. Ramprasad and J. B. Adams, `Cluster
models of Cu binding and CO and NO adsorption in Cu-exchanged zeolites'
Postscript version, PDF version,
HTML version, J. Phys. Chem. 100 (1996), pp.6032-6046.
- R. Ramprasad, K. C. Hass and W. F. Schneider, `Cluster model studies
of Cu complexes in zeolites', Ford Technical Report, August 1994.
- J. B. Adams, A. Rockett, J. Kieffer, W. Xu, M. Nomura, K. A. Kilian,
D. F. Richards and R. Ramprasad, `Atomic-level computer simulation',
J. Nucl. Mater. 216 (1994) 265.
- R. Ramprasad, K. M. Glassford and J. B. Adams, `Ab initio study
of Pd carbonyls and CO/Pd(110)', Materials Research Society Conference
Proceedings Vol. 344: Materials and Processes for Environmental
Protection (Spring 1994, San Fransisco).
- R. Ramprasad, D. A. Drabold and J. B. Adams, `Density-functional study
of chemisorption of oxygen on Al(111)', Materials Research Society
Conference Proceedings Vol. 317: Mechanisms of Thin Film Evolution
(Fall 1993, Boston).
- R. Ramprasad and R. G. Hoagland, `Thermodynamic properties of small
zinc clusters', Modelling Simul. Mater. Sci. Eng. 1 (1993)
189.
- R. Ramprasad and R. G. Hoagland, `Thermodynamic properties of small
clusters of Al atoms', The Metals, Minerals and Materials Society (TMS)
Conference Proceedings: Nanophases and Nanocrystalline Structures
(Fall 1992, San Diego).
Conference Presentations (Oral)
- R. Ramprasad, J. B. Adams, K. C. Hass and W. F. Schneider, `Theoretical
study of CO and NO interaction with Cu sites in ZSM-5: Electronic structure
and vibrational spectra', American Chemical Society, March 24-28, 1996,
New Orleans (Louisiana).
- R. Ramprasad, J. B. Adams, K. C. Hass and W. F. Schneider, `A
Theoretical study of CO and NO vibrational frequencies in Cu exchanged
zeolites', American Physical Society, March 18-22, 1996, St.\ Louis
(Missouri).
- R. Ramprasad, J. B. Adams, K. C. Hass and W. F. Schneider, `Theoretical
study of automotive catalysts', International Computational Mathematics
Conference, Eastern Illinois University, Charleston (Illinois).
- R. Ramprasad, K. M. Glassford and J. B. Adams, `Ab initio study
of Pd carbonyls and CO/Pd(110)', Materials Research Society, Spring 1994,
San Fransisco (California).
- R. Ramprasad and R. G. Hoagland, `Thermodynamic properties of small
clusters of Al atoms', The Metals, Minerals and Materials Society (TMS)
conference, Fall 1992, San Diego (California).
Poster Presentations
- R. Ramprasad, K. M. Glassford and J. B. Adams, `Density-functional
study of CO/Pd(110)', Materials Research Society, Fall 1995,
Boston (Massachusetts).
- R. Ramprasad, K. C. Hass, W. F. Schneider and J. B. Adams, `Cluster
model studies of Cu exchanged zeolites', Conference on zeolitic materials,
Summer 1995, East Lansing (Michigan).
- R. Ramprasad, D. A. Drabold and J. B. Adams, `Density-functional study
of chemisorption of oxygen on Al(111)', Materials Research Society,
Fall 1993, Boston (Massachusetts).
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Last modified on April 26, 1996 by
rampi@uiuc.edu