Basis Set Selection for Molecular Core-Level

Journal

Journal of chemical theory and computation

ISSN: 1549-9626

Titre abrégé: J Chem Theory Comput

Pays: United States

ID NLM: 101232704

Informations de publication

Date de publication:
09 Aug 2022

Historique:

pubmed: 12 7 2022

medline: 12 7 2022

entrez: 11 7 2022

Statut: ppublish

Résumé

The

Identifiants

DOI: 10.1021/acs.jctc.2c00247 PMID: 35816679

pubmed: 35816679

doi: 10.1021/acs.jctc.2c00247

doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

4919-4926

Auteurs

Daniel Mejia-Rodriguez (D)

Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.

ORCID: 0000-0002-0350-2941

Alexander Kunitsa (A)

Zapata Computing, Inc., 100 Federal Street, Boston, Massachusetts 02110, United States.

Edoardo Aprà (E)