Stability of the polyynic form of C

Journal

Physical chemistry chemical physics : PCCP

ISSN: 1463-9084

Titre abrégé: Phys Chem Chem Phys

Pays: England

ID NLM: 100888160

Informations de publication

Date de publication:
16 Feb 2022

Historique:

pubmed: 5 2 2022

medline: 5 2 2022

entrez: 4 2 2022

Statut: epublish

Résumé

We calculate the relative energy between the cumulene and polyyne structures of a set of C

Identifiants

DOI: 10.1039/d1cp04996h PMID: 35119058

pubmed: 35119058

doi: 10.1039/d1cp04996h

doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

4515-4525

Auteurs

E Brémond (E)

Université de Paris, ITODYS, CNRS, F-75006 Paris, France.

ORCID: 0000-0002-8646-9365

A J Pérez-Jiménez (AJ)

Department of Physical Chemistry, University of Alicante, E-03080 Alicante, Spain. jc.sancho@ua.es.

ORCID: 0000-0002-1276-7255

C Adamo (C)

Chimie ParisTech, PSL Research University, CNRS, Institute of Chemistry for Life and Health Sciences (i-CLeHS), UMR 8060, F-75005 Paris, France.

Institut Universitaire de France, 103 Boulevard Saint Michel, F-75005, Paris, France.

ORCID: 0000-0002-2638-2735

J C Sancho-García (JC)