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How are the charge transfer descriptors affected by the quality of the underpinning electronic density?
Maschietto, Federica; Campetella, Marco; Frisch, Michael J; Scalmani, Giovanni; Adamo, Carlo; Ciofini, Ilaria.
Afiliação
  • Maschietto F; Chimie ParisTech, PSL Research University, CNRS, Institut de Recherche de Chimie Paris, 11 rue P et M Curie, Paris, F-75005, France.
  • Campetella M; Chimie ParisTech, PSL Research University, CNRS, Institut de Recherche de Chimie Paris, 11 rue P et M Curie, Paris, F-75005, France.
  • Frisch MJ; Gaussian, Inc. 340 Quinnipiac St., Bldg. 40, Wallingford, Connecticut, 06492.
  • Scalmani G; Gaussian, Inc. 340 Quinnipiac St., Bldg. 40, Wallingford, Connecticut, 06492.
  • Adamo C; Chimie ParisTech, PSL Research University, CNRS, Institut de Recherche de Chimie Paris, 11 rue P et M Curie, Paris, F-75005, France.
  • Ciofini I; Chimie ParisTech, PSL Research University, CNRS, Institut de Recherche de Chimie Paris, 11 rue P et M Curie, Paris, F-75005, France.
J Comput Chem ; 39(12): 735-742, 2018 May 05.
Article em En | MEDLINE | ID: mdl-29322526
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Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2018 Tipo de documento: Article
Texto completo
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2018 Tipo de documento: Article