Multilayer Divide-Expand-Consolidate Coupled-Cluster Method: Demonstrative Calculations of the Adsorption Energy of Carbon Dioxide in the Mg-MOF-74 Metal-Organic Framework.

Barnes, Ashleigh L; Bykov, Dmytro; Lyakh, Dmitry I; Straatsma, Tjerk P

Barnes, Ashleigh L; Bykov, Dmytro; Lyakh, Dmitry I; Straatsma, Tjerk P.

Afiliação

Barnes AL; National Center for Computational Sciences , Oak Ridge National Laboratory , Oak Ridge , Tennessee 37831 , United States.
Bykov D; National Center for Computational Sciences , Oak Ridge National Laboratory , Oak Ridge , Tennessee 37831 , United States.
Lyakh DI; National Center for Computational Sciences , Oak Ridge National Laboratory , Oak Ridge , Tennessee 37831 , United States.
Straatsma TP; National Center for Computational Sciences , Oak Ridge National Laboratory , Oak Ridge , Tennessee 37831 , United States.

J Phys Chem A ; 123(40): 8734-8743, 2019 Oct 10.

Article em En | MEDLINE | ID: mdl-31512869

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Phys Chem A Assunto da revista: QUIMICA Ano de publicação: 2019 Tipo de documento: Article País de afiliação: Estados Unidos

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google