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Direct hydroxylation of methaneinter...

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Direct hydroxylation of methaneinterplay between theory and experiment /

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	Direct hydroxylation of methaneedited by Kazunari Yoshizawa.
其他題名:	interplay between theory and experiment /
其他作者:	Yoshizawa, Kazunari.
出版者:	Singapore :Springer Singapore :2020.
面頁冊數:	v, 165 p. :ill., digital ;24 cm.
Contained By:	Springer Nature eBook
標題:	Hydroxylation.
電子資源:	https://doi.org/10.1007/978-981-15-6986-9
ISBN:	9789811569869$q(electronic bk.)

Direct hydroxylation of methaneinterplay between theory and experiment /
Direct hydroxylation of methaneinterplay between theory and experiment /[electronic resource] :edited by Kazunari Yoshizawa. - Singapore :Springer Singapore :2020. - v, 165 p. :ill., digital ;24 cm.

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 Huckel, 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.

ISBN: 9789811569869$q(electronic bk.)

Standard No.: 10.1007/978-981-15-6986-9doiSubjects--Topical Terms:

737195
Hydroxylation.

LC Class. No.: QD281.H85 / D57 2020

Dewey Class. No.: 541.395

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520 $a 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 Huckel, 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.
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