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Crystal structure of diacetylene unveiled by X-ray and neutron diffraction, Raman spectroscopy and periodic DFT.

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Title: Crystal structure of diacetylene unveiled by X-ray and neutron diffraction, Raman spectroscopy and periodic DFT.
Authors: Lopes Cavalcante L; Department of Chemistry, University of Otago, Dunedin 9054, New Zealand., Maynard-Casely HE; Australian Centre for Neutron Scattering, ANSTO, Kirrawee, NSW 2232, Australia., Cable ML; Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109, USA., Duyker SG; Sydney Analytical, Core Research Facilities, University of Sydney, NSW 2006, Australia., Fayolle EC; Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109, USA., Hodyss R; Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109, USA., Kennedy BJ; School of Chemistry, University of Sydney, Sydney, NSW 2006, Australia., Vu TH; Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109, USA., Ennis C; Department of Chemistry, University of Otago, Dunedin 9054, New Zealand.
Source: IUCrJ [IUCrJ] 2026 Jan 01; Vol. 13 (Pt 1), pp. 94-104. Date of Electronic Publication: 2026 Jan 01.
Publication Type: Journal Article
Journal Info: Publisher: International Union of Crystallography Country of Publication: England NLM ID: 101623101 Publication Model: Electronic Cited Medium: Internet ISSN: 2052-2525 (Electronic) Linking ISSN: 20522525 NLM ISO Abbreviation: IUCrJ Subsets: MEDLINE; PubMed not MEDLINE
Database: MEDLINE Ultimate
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  Data: Crystal structure of diacetylene unveiled by X-ray and neutron diffraction, Raman spectroscopy and periodic DFT.
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  Data: <searchLink fieldCode="AU" term="%22Lopes+Cavalcante+L%22">Lopes Cavalcante L</searchLink>; Department of Chemistry, University of Otago, Dunedin 9054, New Zealand.<br /><searchLink fieldCode="AU" term="%22Maynard-Casely+HE%22">Maynard-Casely HE</searchLink>; Australian Centre for Neutron Scattering, ANSTO, Kirrawee, NSW 2232, Australia.<br /><searchLink fieldCode="AU" term="%22Cable+ML%22">Cable ML</searchLink>; Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109, USA.<br /><searchLink fieldCode="AU" term="%22Duyker+SG%22">Duyker SG</searchLink>; Sydney Analytical, Core Research Facilities, University of Sydney, NSW 2006, Australia.<br /><searchLink fieldCode="AU" term="%22Fayolle+EC%22">Fayolle EC</searchLink>; Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109, USA.<br /><searchLink fieldCode="AU" term="%22Hodyss+R%22">Hodyss R</searchLink>; Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109, USA.<br /><searchLink fieldCode="AU" term="%22Kennedy+BJ%22">Kennedy BJ</searchLink>; School of Chemistry, University of Sydney, Sydney, NSW 2006, Australia.<br /><searchLink fieldCode="AU" term="%22Vu+TH%22">Vu TH</searchLink>; Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109, USA.<br /><searchLink fieldCode="AU" term="%22Ennis+C%22">Ennis C</searchLink>; Department of Chemistry, University of Otago, Dunedin 9054, New Zealand.
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  Data: <searchLink fieldCode="JN" term="%22101623101%22">IUCrJ</searchLink> [IUCrJ] 2026 Jan 01; Vol. 13 (Pt 1), pp. 94-104. <i>Date of Electronic Publication: </i>2026 Jan 01.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22International+Union+of+Crystallography%22">International Union of Crystallography </searchLink><i>Country of Publication: </i>England <i>NLM ID: </i>101623101 <i>Publication Model: </i>Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>2052-2525 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2220522525%22">20522525 </searchLink><i>NLM ISO Abbreviation: </i>IUCrJ <i>Subsets: </i>MEDLINE; PubMed not MEDLINE
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        Value: 10.1107/S2052252525010486
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              Text: 2026 Jan 01
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