Identifying promising metal-organic frameworks for heterogeneous catalysis via high-throughput periodic density functional theory

Identifying promising metal-organic frameworks for heterogeneous catalysis via high-throughput periodic density functional theory

© 2019 Wiley Periodicals, Inc.

Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 40(2019), 12 vom: 05. Mai, Seite 1305-1318
Auteur principal: Rosen, Andrew S (Auteur)
Autres auteurs: Notestein, Justin M, Snurr, Randall Q
Format: Article en ligne
Langue:English
Publié: 2019
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article Research Support, U.S. Gov't, Non-P.H.S. computational catalysis density functional theory high-throughput screening metal-organic frameworks methane activation
Accès en ligne Volltext