A rotational investigation of the three isomeric forms of cyanoethynylbenzene (HCC-C<sub>6</sub>H<sub>4</sub>-CN): benchmarking experiments and calculations using the “Lego brick” approach-Reference-Cited by-同舟云学术

A rotational investigation of the three isomeric forms of cyanoethynylbenzene (HCC-C₆H₄-CN): benchmarking experiments and calculations using the “Lego brick” approach

Published:2023 Issue:8 Volume:25 Page:6397-6405
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Spaniol Jean-Thibaut¹,Lee Kin Long Kelvin²^ORCID,Pirali Olivier¹,Puzzarini Cristina³^ORCID,Martin-Drumel Marie-Aline¹^ORCID

Affiliation:

1. Université Paris-Saclay, CNRS, Institut des Sciences Moléculaires d'Orsay, 91405 Orsay, France

2. Intel Accelerated Computing Systems and Graphics Group, Intel JF5 2111 NE 25th Ave, Hillsboro, OR 97124, USA

3. Dipartimento di Chimica “Giacomo Ciamician”, Università di Bologna, via F. Selmi 2, 40126 Bologna, Italy

Abstract

Benchmarking experiments and calculations using the “Lego brick” approach on cyanoethynylbenzene isomers.

Funder

Agence Nationale de la Recherche

Laboratoire d’excellence Physique Atomes Lumière Matière

Ministero dell'Università e della Ricerca

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D2CP04825F

Reference48 articles.

1. D. E.Woon , A hyper-bibliography of known astromolecules, http://www.astrochymist.org/

2. A broadband Fourier transform microwave spectrometer based on chirped pulse excitation

3. Millimeterwave and Submillimeterwave Laboratory Spectroscopy in Support of Observational Astronomy

4. Microwave spectral taxonomy: A semi-automated combination of chirped-pulse and cavity Fourier-transform microwave spectroscopy

5. Automated microwave double resonance spectroscopy: A tool to identify and characterize chemical compounds

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