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Dynamics and local ordering of pentachloronitrobenzene: a molecular-dynamics investigation.

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Title: Dynamics and local ordering of pentachloronitrobenzene: a molecular-dynamics investigation.
Authors: Gebbia JF; Grup de Caracterizació de Materials, Departament de Física, EEBE, Universitat Politècnica de Catalunya, Eduard Maristany, 10-14, 08019 Barcelona, Catalonia, Spain. jonathan.fernando.gebbia@upc.edu.; Barcelona Research Center in Multiscale Science and Engineering, Universitat Politècnica de Catalunya, Eduard Maristany, 10-14, 08019 Barcelona, Catalonia, Spain., Aristizabal AH; Dribia Data Research Sociedad Limitada, Carrer Llacuna, 162, 08018, Barcelona, Spain., Negrier P; Laboratoire Ondes et Matière dAquitaine, Université de Bordeaux, UMR 5798, F-33400 Talence, France., Aguilà D; Institute of Nanoscience and Nanotechnology (IN2UB), Universitat de Barcelona, Barcelona, Spain.; Departament de Química Inorgànica i Orgànica, Facultat de Química, Secció de Química Inorgànica, Universitat de Barcelona, Martí i Franquès, 1-11, 08028, Barcelona, Spain., Tamarit JL; Grup de Caracterizació de Materials, Departament de Física, EEBE, Universitat Politècnica de Catalunya, Eduard Maristany, 10-14, 08019 Barcelona, Catalonia, Spain. jonathan.fernando.gebbia@upc.edu.; Barcelona Research Center in Multiscale Science and Engineering, Universitat Politècnica de Catalunya, Eduard Maristany, 10-14, 08019 Barcelona, Catalonia, Spain., Pardo LC; Grup de Caracterizació de Materials, Departament de Física, EEBE, Universitat Politècnica de Catalunya, Eduard Maristany, 10-14, 08019 Barcelona, Catalonia, Spain. jonathan.fernando.gebbia@upc.edu.; Barcelona Research Center in Multiscale Science and Engineering, Universitat Politècnica de Catalunya, Eduard Maristany, 10-14, 08019 Barcelona, Catalonia, Spain.
Source: Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2023 Nov 15; Vol. 25 (44), pp. 30553-30562. Date of Electronic Publication: 2023 Nov 15.
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
Database: MEDLINE Ultimate
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  Data: Dynamics and local ordering of pentachloronitrobenzene: a molecular-dynamics investigation.
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  Data: <searchLink fieldCode="AU" term="%22Gebbia+JF%22">Gebbia JF</searchLink>; Grup de Caracterizació de Materials, Departament de Física, EEBE, Universitat Politècnica de Catalunya, Eduard Maristany, 10-14, 08019 Barcelona, Catalonia, Spain. jonathan.fernando.gebbia@upc.edu.; Barcelona Research Center in Multiscale Science and Engineering, Universitat Politècnica de Catalunya, Eduard Maristany, 10-14, 08019 Barcelona, Catalonia, Spain.<br /><searchLink fieldCode="AU" term="%22Aristizabal+AH%22">Aristizabal AH</searchLink>; Dribia Data Research Sociedad Limitada, Carrer Llacuna, 162, 08018, Barcelona, Spain.<br /><searchLink fieldCode="AU" term="%22Negrier+P%22">Negrier P</searchLink>; Laboratoire Ondes et Matière dAquitaine, Université de Bordeaux, UMR 5798, F-33400 Talence, France.<br /><searchLink fieldCode="AU" term="%22Aguilà+D%22">Aguilà D</searchLink>; Institute of Nanoscience and Nanotechnology (IN2UB), Universitat de Barcelona, Barcelona, Spain.; Departament de Química Inorgànica i Orgànica, Facultat de Química, Secció de Química Inorgànica, Universitat de Barcelona, Martí i Franquès, 1-11, 08028, Barcelona, Spain.<br /><searchLink fieldCode="AU" term="%22Tamarit+JL%22">Tamarit JL</searchLink>; Grup de Caracterizació de Materials, Departament de Física, EEBE, Universitat Politècnica de Catalunya, Eduard Maristany, 10-14, 08019 Barcelona, Catalonia, Spain. jonathan.fernando.gebbia@upc.edu.; Barcelona Research Center in Multiscale Science and Engineering, Universitat Politècnica de Catalunya, Eduard Maristany, 10-14, 08019 Barcelona, Catalonia, Spain.<br /><searchLink fieldCode="AU" term="%22Pardo+LC%22">Pardo LC</searchLink>; Grup de Caracterizació de Materials, Departament de Física, EEBE, Universitat Politècnica de Catalunya, Eduard Maristany, 10-14, 08019 Barcelona, Catalonia, Spain. jonathan.fernando.gebbia@upc.edu.; Barcelona Research Center in Multiscale Science and Engineering, Universitat Politècnica de Catalunya, Eduard Maristany, 10-14, 08019 Barcelona, Catalonia, Spain.
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  Data: <searchLink fieldCode="JN" term="%22100888160%22">Physical chemistry chemical physics : PCCP</searchLink> [Phys Chem Chem Phys] 2023 Nov 15; Vol. 25 (44), pp. 30553-30562. <i>Date of Electronic Publication: </i>2023 Nov 15.
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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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              Text: 2023 Nov 15
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