Non long‐range corrected density functionals incorrectly describe the intensity of the CH stretching band in polycyclic aromatic hydrocarbons-Reference-Cited by-同舟云学术

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Non long‐range corrected density functionals incorrectly describe the intensity of the CH stretching band in polycyclic aromatic hydrocarbons

Published:2021-03-24 Issue:14 Volume:42 Page:1018-1027
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Geindre Hugo¹,Allouche Abdul‐Rahman²,Peláez Daniel³^ORCID

Affiliation:

1. Université Lille, UMR 8523 ‐ Physique des Lasers, Atomes et Molécules Lille France

2. Institut Lumière Matière UMR5306 Université Lyon 1‐CNRS, Université de Lyon Villeurbanne Cedex France

3. Institut des Sciences Moléculaires d'Orsay (ISMO) ‐ UMR 8214. Bât. 520 Université Paris‐Saclay Orsay Cedex France

Funder

Ministère de l'Enseignement Supérieur et de la Recherche

Région Hauts-de-France

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26520

Reference59 articles.

1. The aromatic universe

2. Polycyclic aromatic hydrocarbons and the unidentified infrared emission bands - Auto exhaust along the Milky Way

3. The infrared emission bands. III - Southern IRAS sources

4. The rich 6 to 9 $\vec\mu$m spectrum of interstellar PAHs

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