02529nam 22005294a 450 991095458090332120250609110853.097866102017160-306-47718-11-280-20171-1(CKB)1000000000001640(Au-PeEL)EBL3035615(CaPaEBR)ebr10052596(CaONFJC)MIL20171(OCoLC)51892495(PPN)237935627(MiAaPQ)EBC3035615(BIP)7973121(EXLCZ)99100000000000164020020918d2002 uy 0engurcn|||||||||txtrdacontentcrdamediacrrdacarrierComputational modeling of homogeneous catalysis /edited by Feliu Maseras and Agusti Lledos1st ed.Dordrecht ;Boston Kluwer Academic Publishersc2002xii, 365 p. illCatalysis by metal complexes ;v. 251-4020-0933-X Includes bibliographical references and index.Intro -- Contents.Computational Modelling of Homogeneous Catalysis is an extensive collection of recent results on a wide array of catalytic processes. The chapters are, in most cases, authored by the researchers who have performed the calculations. The book illustrates the importance of computational modelling in homogeneous catalysis by providing up-to-date reviews of its application to a variety of reactions of industrial interest, including: -olefin polymerization; -hydrogenation; -alkene/alkyne isomerization; -hydroformylation; -hydroboration; hydrosylation; -dihydroxylation; -benzannulation; -epoxidation; -N-N triple bond activation. This book facilitates understanding by experimental chemists in the field on what has already been accomplished and what can be expected from calculations in the near future. In addition, the book provides computational chemists with a first-hand knowledge on the state of the art in this exciting field.Catalysis by metal complexes ;v. 25.CatalysisComputer simulationCatalysisComputer simulation.541.3/95Maseras Feliu1822584Lledós Agustí1822585MiAaPQMiAaPQMiAaPQBOOK9910954580903321Computational modeling of homogeneous catalysis4388871UNINA