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Vetting molecular candidates posited for the first diffuse interstellar bands (5780 and 5797 Å): a quantum chemical study.

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Title: Vetting molecular candidates posited for the first diffuse interstellar bands (5780 and 5797 Å): a quantum chemical study.
Authors: Seuret H; Centro de Investigaciones Químicas, IICBA, Universidad Autónoma del Estado de Morelos, Cuernavaca, 62209, Morelos, México.; Department of Chemistry and Physics, Mount Saint Vincent University, Halifax, Nova Scotia, B3M2J6, Canada. daniel.majaess@gmail.com., Sullivan AD; Department of Chemistry and Physics, Mount Saint Vincent University, Halifax, Nova Scotia, B3M2J6, Canada. daniel.majaess@gmail.com., Morera-Boado C; Departamento de Físicoquímica Teórica, Secihti-Centro de Investigaciones Químicas, IICBA, Universidad Autónoma del Estado de Morelos, Cuernavaca, 62209, Morelos, México. cercis.morerab@uaem.edu.mx., Harriott TA; Department of Chemistry and Physics, Mount Saint Vincent University, Halifax, Nova Scotia, B3M2J6, Canada. daniel.majaess@gmail.com.; Department of Mathematics and Statistics, Mount Saint Vincent University, Halifax, Nova Scotia, B3M2J6, Canada. Tina.Harriott@msvu.ca., Majaess D; Department of Chemistry and Physics, Mount Saint Vincent University, Halifax, Nova Scotia, B3M2J6, Canada. daniel.majaess@gmail.com.; Department of Mathematics and Statistics, Mount Saint Vincent University, Halifax, Nova Scotia, B3M2J6, Canada. Tina.Harriott@msvu.ca., Massa L; Hunter College & the PhD Program of the Graduate Center, City University of New York, New York, NY 10065, USA., Matta CF; Department of Chemistry and Physics, Mount Saint Vincent University, Halifax, Nova Scotia, B3M2J6, Canada. daniel.majaess@gmail.com.; Department of Chemistry, Saint Mary's University, Halifax, Nova Scotia, B3H3C3, Canada.; Département de Chimie, Université Laval, Québec, Québec, G1V 0A6, Canada.
Source: Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2025 Jun 18; Vol. 27 (24), pp. 12666-12674. Date of Electronic Publication: 2025 Jun 18.
Publication Type: Journal Article
Journal Info: Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 100888160 Publication Model: Electronic Cited Medium: Internet ISSN: 1463-9084 (Electronic) Linking ISSN: 14639076 NLM ISO Abbreviation: Phys Chem Chem Phys Subsets: MEDLINE; PubMed not MEDLINE
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  Data: Vetting molecular candidates posited for the first diffuse interstellar bands (5780 and 5797 Å): a quantum chemical study.
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  Data: <searchLink fieldCode="AU" term="%22Seuret+H%22">Seuret H</searchLink>; Centro de Investigaciones Químicas, IICBA, Universidad Autónoma del Estado de Morelos, Cuernavaca, 62209, Morelos, México.; Department of Chemistry and Physics, Mount Saint Vincent University, Halifax, Nova Scotia, B3M2J6, Canada. daniel.majaess@gmail.com.<br /><searchLink fieldCode="AU" term="%22Sullivan+AD%22">Sullivan AD</searchLink>; Department of Chemistry and Physics, Mount Saint Vincent University, Halifax, Nova Scotia, B3M2J6, Canada. daniel.majaess@gmail.com.<br /><searchLink fieldCode="AU" term="%22Morera-Boado+C%22">Morera-Boado C</searchLink>; Departamento de Físicoquímica Teórica, Secihti-Centro de Investigaciones Químicas, IICBA, Universidad Autónoma del Estado de Morelos, Cuernavaca, 62209, Morelos, México. cercis.morerab@uaem.edu.mx.<br /><searchLink fieldCode="AU" term="%22Harriott+TA%22">Harriott TA</searchLink>; Department of Chemistry and Physics, Mount Saint Vincent University, Halifax, Nova Scotia, B3M2J6, Canada. daniel.majaess@gmail.com.; Department of Mathematics and Statistics, Mount Saint Vincent University, Halifax, Nova Scotia, B3M2J6, Canada. Tina.Harriott@msvu.ca.<br /><searchLink fieldCode="AU" term="%22Majaess+D%22">Majaess D</searchLink>; Department of Chemistry and Physics, Mount Saint Vincent University, Halifax, Nova Scotia, B3M2J6, Canada. daniel.majaess@gmail.com.; Department of Mathematics and Statistics, Mount Saint Vincent University, Halifax, Nova Scotia, B3M2J6, Canada. Tina.Harriott@msvu.ca.<br /><searchLink fieldCode="AU" term="%22Massa+L%22">Massa L</searchLink>; Hunter College & the PhD Program of the Graduate Center, City University of New York, New York, NY 10065, USA.<br /><searchLink fieldCode="AU" term="%22Matta+CF%22">Matta CF</searchLink>; Department of Chemistry and Physics, Mount Saint Vincent University, Halifax, Nova Scotia, B3M2J6, Canada. daniel.majaess@gmail.com.; Department of Chemistry, Saint Mary's University, Halifax, Nova Scotia, B3H3C3, Canada.; Département de Chimie, Université Laval, Québec, Québec, G1V 0A6, Canada.
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  Data: <searchLink fieldCode="JN" term="%22100888160%22">Physical chemistry chemical physics : PCCP</searchLink> [Phys Chem Chem Phys] 2025 Jun 18; Vol. 27 (24), pp. 12666-12674. <i>Date of Electronic Publication: </i>2025 Jun 18.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Royal+Society+of+Chemistry%22">Royal Society of Chemistry </searchLink><i>Country of Publication: </i>England <i>NLM ID: </i>100888160 <i>Publication Model: </i>Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1463-9084 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2214639076%22">14639076 </searchLink><i>NLM ISO Abbreviation: </i>Phys Chem Chem Phys <i>Subsets: </i>MEDLINE; PubMed not MEDLINE
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        Value: 10.1039/d4cp04023f
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              Text: 2025 Jun 18
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