Theory, spectroscopy and kinetics of zeolite catalyzed reactions

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Abstract

A review, with 12 refs., of techniques used to theor. and exptl. study the spectroscopy and kinetics of zeolite-catalyzed reactions. Topics briefly discussed include quantum-chem. studies of reaction mechanism, spectroscopy (IR, NMR, picosecond IR laser spectroscopy), and heats of adsorption (e.g., by configurationally biased Monte Carlo simulation)
Original languageEnglish
Title of host publicationPreprints symposium 'Advances and applications of computational chemical modelling to heterogeneous catalysis, Division of Petroleum Chemistry, American chemical society, San Francisco 1997
Place of PublicationSan Francisco
PublisherAmerican Chemical Society
Pages60-68
Publication statusPublished - 1997

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