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Statistical Mechanical Treatment of Hydrocarbon Adsorption on Zeolites.  Adsorption on Silicalite of Benzene and Alkane Binary mixtures.

S.E. Jalili, G.Manos and L.J. Dunne, University College London, London, United Kingdom

Reaction Route Graphs as a Tool for Microkinetic Modeling and Reduction: Application to the Water-Gas-Shift Reaction.

Q. Callaghan, I.Fishtik and R.Datta. Worcester Polytechnic Institute, Worcester, MA

N-paraffins hydrocracking model.

L. Pellegrini, V. Calemma, S.Locatelli and S.Rasella.  Politecnico of Milan, Italy

Modeling 'Molecular Square' Catalysts: A Multiscale Approach

D. Majumder, M. Curet-Arana, R.Q. Snurr and L.J. Broadbelt. Northwestern University, Evanston, IL

Chemical System Identification in Liquid Phase Transition-Metal Homogeneous Catalysis

W. Chew, C. Li, E.Widjaja and M.Garland. National University of Singapore, Singapore

Study of 4,6-bis(nitroamino)-1,3,5-triazin-2(1\emph{H})-one,related tautomers and conformers

P. Simoes, L. Pedroso and A. Portugal. Universidade de Coimbra - Faculdade de Ciencias e Tecnologia, Coimbra, Portugal

Microkinetic Modelling of Light Paraffin Aromatization on ZSM-5 based Catalysts

A. Bhan, S.H. Hsu, C.K. Tn, V. Venkatasubramaniam, D. Thomson, J. Caruthers and W.N. Delgass. Purdue University, West Lafayette, IN

Molecular modeling of water-gas shift and preferential oxidation of CO reactions.

D. Vlachos and A. B. Mhadeshwar. Univ. of Delaware, Newark, DE

Rule-Based Refinement and Feature Matching in Kinetic Modeling.

S.-H. Hsu, A.Bhan, W. N.Delgass, J.M. Caruthers and V. Venkatasubramanian Purdue University, West Lafayette, IN