Vibronic structure of the cyanobutadiyne cation. II. Theoretical exploration of the complex energy landscape of HC5N+
Author:
Affiliation:
1. Institut des Sciences Moléculaires d’Orsay (ISMO), CNRS UMR 8214, Univ. Paris-Sud, Université Paris-Saclay, F-91405 Orsay, France
2. Service de Chimie Quantique et Photophysique, Université Libre de Bruxelles, CP 160/09, B-1050 Bruxelles, Belgium
Funder
Agence Nationale de la Recherche
Fonds De La Recherche Scientifique - FNRS
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5097691
Reference36 articles.
1. Vibronic structure of the cyanobutadiyne cation. I. VUV photoionization study of HC5N
2. Density Functional Theory Study of Cyano- and Dicyanopolyacetylene Cations
3. On the performance of approximate spin–orbit Hamiltonians in light conjugated molecules: the fine-structure splitting of HC6H+, NC5H+, and NC4N+
4. Ab initio calculations of electronically excited states of cyano-substituted polyacetylene cations
5. MRD-CI Characterization of Electronic Spectra of Isoelectronic Species C6-, NC4N+, and CNC3N+
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4. Vibronic structure of the cyanobutadiyne cation. I. VUV photoionization study of HC5N;The Journal of Chemical Physics;2019-06-28
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