Understanding How Ligand Functionalization Influences CO<sub>2</sub> and N<sub>2</sub> Adsorption in a Sodalite Metal-Organic Framework.

Asgari, Mehrdad; Semino, Rocio; Schouwink, Pascal A; Kochetygov, Ilia; Tarver, Jacob; Trukhina, Olga; Krishna, Rajamani; Brown, Craig M; Ceriotti, Michele; Queen, Wendy L

Understanding How Ligand Functionalization Influences CO₂ and N₂ Adsorption in a Sodalite Metal-Organic Framework.

Asgari, Mehrdad; Semino, Rocio; Schouwink, Pascal A; Kochetygov, Ilia; Tarver, Jacob; Trukhina, Olga; Krishna, Rajamani; Brown, Craig M; Ceriotti, Michele; Queen, Wendy L.

Afiliación

Asgari M; Institut des Sciences et Ingenierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1951 Sion, Switzerland.
Semino R; Institut Charles Gerhardt Montpellier UMR 5253 CNRS, Universitéde Montpellier, 34095 Montpellier Cedex 05, France; Laboratory of Computational Science and Modeling, Institute of Materials, École Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland.
Schouwink PA; Institut des Sciences et Ingenierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1951 Sion, Switzerland.
Kochetygov I; Institut des Sciences et Ingenierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1951 Sion, Switzerland.
Tarver J; Center for Neutron Research, National Institute of Standards and Technology, 20899 Gaithersburg, Maryland, United States; National Renewable Energy Laboratory, 80401 Golden, Colorado, United States.
Trukhina O; Institut des Sciences et Ingenierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1951 Sion, Switzerland.
Krishna R; Van't Hoff Institute for Molecular Sciences, University of Amsterdam, 1098 XH Amsterdam, Netherlands.
Brown CM; Center for Neutron Research, National Institute of Standards and Technology, 20899 Gaithersburg, Maryland, United States.
Ceriotti M; Laboratory of Computational Science and Modeling, Institute of Materials, École Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland.
Queen WL; Institut des Sciences et Ingenierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1951 Sion, Switzerland.

Chem Mater ; 322020.

Article en En | MEDLINE | ID: mdl-33612965

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Prognostic_studies Idioma: En Revista: Chem Mater Año: 2020 Tipo del documento: Article País de afiliación: Suiza Pais de publicación: Estados Unidos

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