Mechanisms for heterogeneous catalysis

William A. Goddard

doi:10.1007/978-3-030-18778-1_63

Mechanisms for heterogeneous catalysis

William A. Goddard

California Institute of Technology

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Résumé

The Goddard group was the first to apply ab initio QM to determining the mechanisms of complex heterogeneous catalysts. Particular emphasis has been on activation of propane, propene, and butane also ammoxiation to acrylonitral and N₂ reducton to NH₃. Since then we have used QM to discover the reaction mechanisms for many practical heterogeneous catalysts for butane to maleic anhydride, ammoxidation, and N2 reduction (Haber Bosch).

langue originale	Anglais
titre	Springer Series in Materials Science
Editeur	Springer Science and Business Media Deutschland GmbH
Pages	1235-1248
Nombre de pages	14
Les DOIs	https://doi.org/10.1007/978-3-030-18778-1_63
état	Publié - 1 janv. 2021
Modification externe	Oui

Série de publications

Nom	Springer Series in Materials Science
Volume	284
ISSN (imprimé)	0933-033X
ISSN (Electronique)	2196-2812

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10.1007/978-3-030-18778-1_63

Contient cette citation

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Mechanisms for heterogeneous catalysis

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