Computational Modeling of Homogeneous Catalysis

• Συγγραφή απο Οργανισμό/Αρχή: SpringerLink (Online service)
• Άλλοι συγγραφείς: Maseras, Feliu (Επιμελητής έκδοσης), Lledós, Agustí (Επιμελητής έκδοσης)
• Μορφή: Ηλεκτρονική πηγή Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Boston, MA : Springer US, 2002.
• Σειρά: Catalysis by Metal Complexes, 25
• Θέματα: Chemistry.; Chemoinformatics.; Inorganic chemistry.; Organic chemistry.; Organometallic chemistry.; Physical chemistry.; Catalysis.; Organometallic Chemistry.; Physical Chemistry.; Computer Applications in Chemistry.; Inorganic Chemistry.; Organic Chemistry.

 Computational Methods for Homogeneous Catalysis -- Olefin Polymerization by Early Transition Metal Catalysts -- The Key Steps in Olefin Polymerization Catalyzed by Late Transition Metals -- Hydrogenation of Carbon Dioxide -- Catalytic Enantioselective Hydrogenation of Alkenes -- Isomerization of Double and Triple C-C Bonds at a Metal Center -- Rhodium Diphosphine Hydroformylation -- Transition Metal Catalyzed Borations -- Enantioselective Hydrosilylation by Chiral Pd Based Homogeneous Catalysts with First-Principles and Combined QM/MM Molecular Dynamics Simulations -- Olefin Dihydroxylation -- The Dötz Reaction: A Chromium Fischer Carbene-Mediated Benzannulation Reaction -- Mechanism of Olefin Epoxidation by Transition Metal Peroxo Compounds -- The N?N Triple Bond Activation by Transition Metal Complexes.