Stability of the polyynic form of C18, C22, C26, and C30 nanorings: a challenge tackled by range-separated double-hybrid density functionals.

Brémond, E; Pérez-Jiménez, A J; Adamo, C; Sancho-García, J C

Stability of the polyynic form of C₁₈, C₂₂, C₂₆, and C₃₀ nanorings: a challenge tackled by range-separated double-hybrid density functionals.

Brémond, E; Pérez-Jiménez, A J; Adamo, C; Sancho-García, J C.

Afiliação

Brémond E; Université de Paris, ITODYS, CNRS, F-75006 Paris, France.
Pérez-Jiménez AJ; Department of Physical Chemistry, University of Alicante, E-03080 Alicante, Spain. jc.sancho@ua.es.
Adamo C; Chimie ParisTech, PSL Research University, CNRS, Institute of Chemistry for Life and Health Sciences (i-CLeHS), UMR 8060, F-75005 Paris, France.
Sancho-García JC; Institut Universitaire de France, 103 Boulevard Saint Michel, F-75005, Paris, France.

Phys Chem Chem Phys ; 24(7): 4515-4525, 2022 Feb 16.

Article em En | MEDLINE | ID: mdl-35119058

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Phys Chem Chem Phys Assunto da revista: BIOFISICA / QUIMICA Ano de publicação: 2022 Tipo de documento: Article País de afiliação: França

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