Conference Presentations
The Selectivity of Transition Metal Oxides for the Oxidation of Methanol: Quantum Chemical Understanding, N. Srinivasan, S. Ramani and R. Miranda, Annual North American Catalysis Society (NACS) Meeting, Boston, MA, May 1999.
A Density Functional Study of Reaction of Alcohols on Molybdenum Oxide, N. Srinivasan, S. Ramani and R. Miranda, American Institute of Chemical Engineers (AIChE) Annual Meeting, Miami, FL, November 1998.
Solid Acidity Characterization: A Quantum Mechanical Study, S. Ramani, N. Srinivasan, J.F. Richardson and R. Miranda, Tri-State Catalyst Society Spring Symposium, Charleston, WV, April 1998.
Methanol Adsorption on Molybdenum Oxide: A Density Functional Study, N. Srinivasan, S. Ramani and R. Miranda, Tri-State Catalyst Society Spring Symposium, Charleston, WV, April 1998.
Characterization of Solid Acid Catalysts: An Ab Initio Study, S. Ramani, N. Srinivasan, J.F. Richardson and R. Miranda, American Chemical Society (ACS) National Meeting, Dallas, TX, March 1998.
Quantum Chemical Studies of Methanol Adsorption on Molybdenum Oxide, N. Srinivasan, S. Ramani and R. Miranda, ACS National Meeting, Dallas, TX, March 1998.
Neural-Network-Aided Design of Zeolitic Exhaust Catalysts, N. Srinivasan, S. Ramani and R. Miranda, AIChE Annual Meeting, Chicago, IL, November 1996.
Mo Oxide Unsaturation: A Multifunctional Catalytic Site, S. Ramani, J. Marzari, S. Rajagopal and R. Miranda, ACS National Meeting, Orlando, FL, August 1996.
Quantum Mechanical Modeling of Acidity in Sulfated Zirconium Oxides, S. Ramani, J.F. Richardson and R. Miranda, International Congress on Catalysis, Baltimore, MD, June 1996.
Neural Networks in Designing Exhaust Catalysts, N. Srinivasan, S. Ramani, and R. Miranda, Tri-State Catalyst Society Spring Symposium, Charleston, WV, May 1996.
Molecular Simulation of Acidic Oxides, R. Miranda and S. Ramani, Tri-State Catalyst Soceity Spring Symposium, Charleston, WV, May 1996.
Synthesis and Applications of Metal Oxides with Tuned Surface Chemistry, R. Miranda, S. Rajagopal, J.A. Marzari, and S. Ramani, AIChE Spring Meeting, New Orleans, LA, February 1996.
Molecular Modeling of Acidic Sites in Si/Al/Mo Oxides, S. Ramani, J.F. Richardson, and R. Miranda, AIChE Annual Meeting, Miami, FL, November 1995.
Quantum Mechanical Study of Acidity in Si/Al Oxides, S. Ramani, J.F. Richardson, and R. Miranda, Third Annual Chemical Engineering Symposium, University of Kentucky, Lexington, KY, September 1995.
Molecular Modeling of Acidity in Si/Al Oxides, S. Ramani, J.F. Richardson, and R. Miranda, Tri-State Catalyst Society Spring Symposium, Charleston, WV, April 1995.
Design of Catalytic Materials for the Automotive Industry, S. Ramani and R. Miranda, Center for Chemical Catalysis - Inaugural Meeting, University of Louisville, KY, February 1995.
Automobile Exhaust Catalyst Design using Neural Networks Methodology, S. Ramani and R. Miranda, Poster & Paper, AIChE Annual Meeting, San Francisco, CA, November 1994.
Refereed Publications
Methanol Oxidation Reactions on MoO3 (100) and (010) Surfaces: A Density Functional Study, N. Srinivasan, S. Ramani and R. Miranda, Manuscript in preparation.
Solid Acidity Characterization by Chemisorption: A HF, MP2, DFT Analysis, S. Ramani, N. Srinivasan, J.F. Richardson and R. Miranda, Manuscript in preparation.
Molecular Modeling Study of Solid Acidity in Molybdenum Oxide Supported on Silica-Alumina, S. Ramani, J.F. Richardson and R. Miranda, Modelling and Simulation in Material Science and Engineering, 1999, Vol. 7, pp. 459-478.
Neural Network Modeling of Transition Metal-Zeolite Exhaust Catalysts, N. Srinivasan, S. Ramani and R. Miranda, Chemical Engineering Communications, 1999, Vol. 173, pp. 1-21.
Neural-Network-Aided Design of Automobile Exhaust Catalysts, S. Ramani and R. Miranda, Chemical Engineering Communications, 1996, Vol. 156, pp. 147-160.
Review Chapter
Artificial Neural Networks in Chemical Sciences, S. Ramani, N. Srinivasan and R. Miranda, in 'Elements of Artificial Neural Networkswith selected applications in Chemical Engineering, and Chemical & Biological Sciences' (Eds. S.S. Tambe, B.D. Kulkarni and P.B. Deshpande), Simulation and Advanced Controls, Inc., Louisville, KY, 1996.
