Going Beyond Silver in Ethylene Epoxidation with First-Principles Catalyst Screening.

Hus, Matej; Grilc, Miha; Terzan, Janvit; Gyergyek, Saso; Likozar, Blaz; Hellman, Anders

Hus, Matej; Grilc, Miha; Terzan, Janvit; Gyergyek, Saso; Likozar, Blaz; Hellman, Anders.

Afiliación

Hus M; Chalmers tekniska högskola, Department of Physics, Fysikgränd 3, SE-41296, Göteborg, Sweden.
Grilc M; Kemijski institut, Hajdrihova 19, SI-1000, Ljubljana, Slovenia.
Terzan J; Univerza v Novi Gorici, Vipavska 13, SI-5000, Nova Gorica, Slovenia.
Gyergyek S; Zveza za tehnisko kulturo Slovenije, Zaloska 65, SI-1000, Ljubljana, Slovenia.
Likozar B; Zavod za varstvo kulturne dediscine, Poljanska 40, SI-1000, Ljubljana, Slovenia.
Hellman A; Kemijski institut, Hajdrihova 19, SI-1000, Ljubljana, Slovenia.

Angew Chem Int Ed Engl ; 62(31): e202305804, 2023 Aug 01.

Article en En | MEDLINE | ID: mdl-37226934

Palabras clave

Catalyst Screening; DFT; Ethylene Epoxidation; Experimental Validation; Modelling

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Texto completo: 1 Bases de datos: MEDLINE Tipo de estudio: Diagnostic_studies / Prognostic_studies / Screening_studies Idioma: En Revista: Angew Chem Int Ed Engl Año: 2023 Tipo del documento: Article País de afiliación: Suecia

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