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• 000 01518nam a2200205 i 4500

• 001 0000844994

• 005 20250925100000.0

• 008 250919s2010 sz 000 0 eng d

• 020 __ |a 9781441952325 |q paperback

• 040 __ |a CNPIEC |b eng |c CNPIEC |e rda

• 090 __ |a O627/X2

• 093 __ |a O627 |2 5

• 100 1_ |a Maseras, Feliu, |e author.

• 245 10 |a Computational modeling of homogeneous catalysis / |c Feliu Maseras, AgustLled

• 260 __ |a Cham : |b Springer, |c 2010.

• 300 __ |a 368 pages ; |c 24cm

• 336 __ |a text |2 rdacont

• 337 __ |a unmediated |2 rdame

• 338 __ |a volume |2 rdacarr

• 520 __ |a 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.