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Proposing genotoxicity related quantitative indicators by analyzing TiO2 surface computed on DFT framework

  • Identification data

    Identifier:  PC:4303
    Authors:  Çetin, Yarkın Aybars; Escorihuela, Laura; Martorell Masip, Benjamí; Calatayud, Monica; Serratosa, Francesc
    Abstract:
    This dataset houses a research poster and its poster abstract. The set of documents was first presented at the doctoral days organized by the Doctoral Committee of the Nanoscience, Materials and Chemical Engineering program at Escuela Técnica Superior de Ingeniería Química (ETSEQ) of Universitat Rovira i Virgili (URV) on 25 May 2022 (17th Edition). Poster Title: "Proposing genotoxicity related quantitative indicators by analyzing TiO2 surface computed on DFT framework".
  • Others:

    Document type: info:eu-repo/semantics/other
    DOI: 10.34810/data1235
    Related publications: Çetin, Y. A.; Martorell, B.; Serratosa, F.; Aguilera-Porta, N.; Calatayud, M. J. of Phys.: Condens. Matter 2022, 34 (31), 314004.doi: 10.1088/1361-648X/ac7025
    Departament: Enginyeria Informàtica i Matemàtiques
    Author: Çetin, Yarkın Aybars; Escorihuela, Laura; Martorell Masip, Benjamí; Calatayud, Monica; Serratosa, Francesc
    Repository ingest date: 2024-04-09
    Funding program action: European Commission: H2020-NMBP-14-2018-814426; GENCI-CINES/IDRIS: 2020-x2020082131; GENCI-CINES/IDRIS: 2021-x2021082131
    Dataset publication year: 2024
    Subject matter: Chemistry; Other
    Researcher identifier: 0000-0003-2456-5949; 0000-0002-6350-2396; 0000-0002-7759-8042; 0000-0003-0555-8938; 0000-0001-6112-5913
    Related publication's DOI: 10.1088/1361-648X/ac7025
    Language: en
    Published by (editorial): Universitat Rovira i Virgili (URV)
    Access rights: info:eu-repo/semantics/openAccess
    Abstract: This dataset houses a research poster and its poster abstract. The set of documents was first presented at the doctoral days organized by the Doctoral Committee of the Nanoscience, Materials and Chemical Engineering program at Escuela Técnica Superior de Ingeniería Química (ETSEQ) of Universitat Rovira i Virgili (URV) on 25 May 2022 (17th Edition). Poster Title: "Proposing genotoxicity related quantitative indicators by analyzing TiO2 surface computed on DFT framework".
  • Keywords:

    molecular dynamics
    Poster
    Computational Chemistry
    Titania
    Chemistry; Other
  • Documents:

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