Article ISI SCOPUS
JOURNAL OF COMPUTATIONAL CHEMISTRY  (2019)

Electronic structure benchmark calculations of inorganic and biochemical carboxylation reactions

Douglas-Gallardo, OA; Saez, DA; Vogt-Geisse, S; Vohringer-Martinez, E

Keywords: carbon dioxide, electronic structure calculations, inorganic and biochemical carboxylation reactions, coupled-cluster calculations, electronic correlation energy

Más información

Título según WOS: Electronic structure benchmark calculations of inorganic and biochemical carboxylation reactions
Título según SCOPUS: Electronic structure benchmark calculations of inorganic and biochemical carboxylation reactions
Título de la Revista: JOURNAL OF COMPUTATIONAL CHEMISTRY
Volumen: 40
Número: 13
Editorial: Wiley
Fecha de publicación: 2019
Página de inicio: 1401
Página final: 1413
Idioma: English
DOI:

10.1002/jcc.25795
Notas: ISI, SCOPUS