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First principles based simulations of of steam cracking of light hydrocarbons
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Kinetic modeling of the atom transfer radical polymerization of methyl methacrylate: conditions for control
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Suspension polymerization reactions and reactors
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Ab initio modelling of steam cracking
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Transition State Group Additivity: a novel scheme to predict reaction barriers from quantum chemical calculations for kinetic model development of silicon hydride nanoparticle formation
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Kinetics as a tool for catalyst design
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Alkylation of benzene with alkenes in acidic zeolites: an ab initio study
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Ab initio study of alkene activation on vanadium oxide based catalysts
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Physisorption and chemisorption of alkenes: ab initio study of the influence of alkene structure and zeolite topology
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A joined theoretical-experimental investigation on the 1H and 13C NMR signatures of defects in poly(vinyl chloride)