Description of Carbo-oxocarbons and Assessment of Exchange-Correlation Functionals for the DFT Description of Carbo-mers-Reference-Cited by-同舟云学术

Description of Carbo-oxocarbons and Assessment of Exchange-Correlation Functionals for the DFT Description of Carbo-mers

Published:2006-12-14 Issue:1 Volume:111 Page:136-149
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Lepetit Christine¹,Chermette Henry¹,Gicquel Mickaël¹,Heully Jean-Louis¹,Chauvin Remi¹

Affiliation:

1. Laboratoire de Chimie de Coordination, UPR 8241 CNRS, 205 Route de Narbonne, 31 077 Toulouse Cedex 4, France, Laboratoire de Chimie-Physique Théorique, Université de Lyon, Université Lyon 1, and CNRS UMR 5182, Bât 210-Dirac, 43 Bd du 11 novembre 1918, F-69622 Villeurbanne Cedex, France, and Laboratoire de Physique Quantique, IRSAMC, UMR 5626-118, route de Narbonne, 31077 Toulouse Cedex 04, France

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp064066d

Reference110 articles.

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3. ELF Analysis of Out-of-Plane Aromaticity and In-Plane Homoaromaticity in Carbo[N]annulenes and [N]Pericyclynes

4. DFT exploration of structural and magnetic properties of [n]annulene ring carbomers

5. Aromaticity and homoaromaticity of annulene ring carbomers

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