Maria Biosca,
Maria Biosca Brull
Elsevier Science
e druk, 2024
9780443313349
Computational Insights into Catalytic Transformations
Specificaties
Gebonden, blz.
|
Engels
Elsevier Science |
2024
ISBN13: 9780443313349
Rubricering
Onderdeel van serie
Advances in Catalysis
Levertijd ongeveer 9 werkdagen
Gratis verzonden
Samenvatting
Computational Insights into Catalytic Transformations, Volume 75 in the Advances in Catalysis series, highlights new advances in the field, with this new volume presenting interesting chapters on topics including Quantum Chemical Investigations on Electrophilic F/CF3/SCF3 Transfer Hypervalent Iodine Reagents, Combining DFT and experimental studies in enantioselective catalysis. From rationalization to prediction, Molecular Modelling of encapsulation and reactivity within metallocages, On the role of computational chemistry in the design of artificial metalloenzymes, and Computational Modelling of Catalytic Oxidation Reactions with H2O2 promoted by transition metal-substituted polyoxometalates.
Specificaties
ISBN13:9780443313349
Taal:Engels
Bindwijze:Gebonden
Uitgever:Elsevier Science
Serie:Advances in Catalysis
Inhoudsopgave
1. Quantum Chemical Investigations on Electrophilic F/CF3/SCF3 Transfer Hypervalent Iodine Reagents<br>Fahmi Himo and Maria Biosca<br>2. Combining DFT and experimental studies in enantioselective catalysis. From rationalization to prediction<br>Montserrat Diéguez, Oscar Pàmies and Maria Biosca<br>3. Molecular Modelling of encapsulation and reactivity within metallocages<br>Gregori Ujarque, Mercè Alemany-Chavarria and Giuseppe Sciortino<br>4. On the role of computational chemistry in the design of artificial metalloenzymes<br>Jean-Didier Maréchal and Agusti Lledós<br>5. Computational Modelling of Catalytic Oxidation Reactions with H2O2 promoted by transition metal-substituted polyoxometalates<br>Albert Solé and Jordi J. Carbó