Dimercaprol (BAL): Insights into conformational stability, fragmentation pathways via tandem LR-ESI, HR-EI mass spectrometry, and gas-phase thermochemical properties from quantum chemical calculations

• Miguel Fernando Molano,

  Roles Data curation, Formal analysis, Investigation, Methodology, Software, Writing – original draft

  Affiliation Departamento de Química, Facultad de Ciencias, Universidad Antonio Nariño, Bogotá, Colombia

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• Alba Marcela Gómez Gómez,

  Roles Data curation, Methodology, Software

  Affiliation Departamento de Química, Facultad de Ciencias, Universidad Antonio Nariño, Bogotá, Colombia

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• Alejandro Moncayo-Lasso,

  Roles Data curation, Methodology, Supervision, Validation

  Affiliation Departamento de Química, Facultad de Ciencias, Universidad Antonio Nariño, Bogotá, Colombia

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• Carlos A. Bejarano,

  Roles Data curation, Formal analysis, Methodology, Software, Validation

  Affiliation Departamento de Química, Facultad de Ciencias, Universidad Antonio Nariño, Bogotá, Colombia

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• John Edward Diaz,

  Roles Data curation, Formal analysis, Methodology, Software, Validation

  Affiliation Departamento de Química, Facultad de Ciencias, Universidad Antonio Nariño, Bogotá, Colombia

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• Cristian Buendía-Atencio ,

  Roles Conceptualization, Formal analysis, Funding acquisition, Investigation, Methodology, Project administration, Resources, Supervision, Validation, Visualization, Writing – original draft, Writing – review & editing

  * E-mail: sol.mejia@javeriana.edu.co (SMM); c.buendia@uan.edu.co (CB-A)

  Affiliation Departamento de Química, Facultad de Ciencias, Universidad Antonio Nariño, Bogotá, Colombia

  https://orcid.org/0000-0001-6375-3382

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• Miguel Ángel Delgado,

  Roles Data curation, Methodology, Software

  Affiliation Facultad de Ciencias y Educación, Universidad Distrital Francisco José de Caldas, Bogotá, Colombia

  https://orcid.org/0000-0002-5832-5831

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• Vaneza Paola Lorett Velásquez,

  Roles Conceptualization, Formal analysis, Funding acquisition, Investigation, Methodology, Project administration, Resources, Supervision, Writing – original draft, Writing – review & editing

  Affiliation Facultad de Medicina y Ciencias de la Salud, Grupo de Investigación sobre Agentes Radiológicos, Biológicos y Químicos, Universidad Militar Nueva Granada, Bogotá, Colombia

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• Alix E. Loaiza,

  Roles Data curation, Formal analysis, Methodology, Software, Validation, Writing – original draft

  Affiliation Departamento de Química, Facultad de Ciencias, Pontificia Universidad Javeriana, Bogotá, Colombia

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• Sol M. Mejía

  Roles Formal analysis, Funding acquisition, Investigation, Methodology, Validation, Writing – original draft, Writing – review & editing

  * E-mail: sol.mejia@javeriana.edu.co (SMM); c.buendia@uan.edu.co (CB-A)

  Affiliation Departamento de Química, Facultad de Ciencias, Pontificia Universidad Javeriana, Bogotá, Colombia

  https://orcid.org/0000-0001-5664-0558

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