02699oam 2200433 450 991042463720332120230823001310.0981-15-6986-X10.1007/978-981-15-6986-9(CKB)4100000011528362(MiAaPQ)EBC6381967(DE-He213)978-981-15-6986-9(EXLCZ)99410000001152836220210415d2020 uy 0engurnn|008mamaatxtrdacontentcrdamediacrrdacarrierDirect hydroxylation of methane interplay between theory and experiment /Kazunari Yoshizawa, editor1st ed. 2020.Gateway East, Singapore :Springer,[2020]©20201 online resource (V, 165 p. 107 illus., 55 illus. in color.) 981-15-6985-1 Includes bibliographical references.1. Physical properties of methane -- 2. Methane hydroxylation by transition-metal oxide ions -- 3. Enzymatic methane hydroxylation by methane monooxyganese -- 4. Methane and benzene oxidation by metal-exchanged zeolites -- 5. Methane activation on metal-oxide surfaces -- 6. Methane activation on alloy surface: Informatics approach -- 7. Synergy of theory and experiment.This book focuses on theoretical and computational studies by the editor’s group on the direct hydroxylation of methane, which is one of the most challenging subjects in catalyst chemistry. These studies of more than 20 years include gas-phase reactions by transition-metal oxide ions, enzymatic reactions by two types of methane monooxygenase (soluble and particulate MMO), catalytic reactions by metal-exchanged zeolites, and methane C–H activation by metal oxide surfaces. Catalyst chemistry has been mostly empirical and based on enormous experimental efforts. The subject of the title has been tackled using the orbital interaction and computations based on extended Hückel, DFT, and band structure calculations. The strength of the theoretical studies is in the synergy between theory and experiment. Therefore, the group has close contacts with experimentalists in physical chemistry, catalyst chemistry, bioinorganic chemistry, inorganic chemistry, and surface chemistry. This resulting book will be useful for the theoretical analysis and design of catalysts. .MethaneMethane.622.5Yoshizawa KazunariMiAaPQMiAaPQUtOrBLWBOOK9910424637203321Direct hydroxylation of methane2087463UNINA