Prediction of Multiple Hydrogen Ligation at a Vanadium(II) Site in a Metal-Organic Framework.

Chakraborty, Romit; Carsch, Kurtis M; Jaramillo, David E; Yabuuchi, Yuto; Furukawa, Hiroyasu; Long, Jeffrey R; Head-Gordon, Martin

Chakraborty, Romit; Carsch, Kurtis M; Jaramillo, David E; Yabuuchi, Yuto; Furukawa, Hiroyasu; Long, Jeffrey R; Head-Gordon, Martin.

Afiliación

Chakraborty R; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California94720, United States.
Carsch KM; Department of Chemistry, University of California, Berkeley, California94720, United States.
Jaramillo DE; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California94720, United States.
Yabuuchi Y; Department of Chemistry, University of California, Berkeley, California94720, United States.
Furukawa H; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California94720, United States.
Long JR; Department of Chemistry, University of California, Berkeley, California94720, United States.
Head-Gordon M; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California94720, United States.

J Phys Chem Lett ; 13(44): 10471-10478, 2022 Nov 10.

Article en En | MEDLINE | ID: mdl-36326596

Asunto(s)

Estructuras Metalorgánicas; Compuestos Organometálicos; Hidrógeno/química; Vanadio; Compuestos Organometálicos/química; Adsorción

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Texto completo: 1 Bases de datos: MEDLINE Asunto principal: Compuestos Organometálicos / Estructuras Metalorgánicas Tipo de estudio: Prognostic_studies / Risk_factors_studies Idioma: En Revista: J Phys Chem Lett Año: 2022 Tipo del documento: Article País de afiliación: Estados Unidos

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