Force field refinement for reproducing experimental infrared spectra of ionic liquids.

Szabadi, András; Doknic, Aleksandar; Netsch, Jonathan; Pálvögyi, Ádám Márk; Steinhauser, Othmar; Schröder, Christian

Szabadi, András; Doknic, Aleksandar; Netsch, Jonathan; Pálvögyi, Ádám Márk; Steinhauser, Othmar; Schröder, Christian.

Afiliación

Szabadi A; Department of Computational Biological Chemistry, Faculty of Chemistry, University of Vienna, Währingerstr. 17, A-1090 Vienna, Austria. christian.schroeder@univie.ac.at.
Doknic A; University of Vienna, Doctoral School in Chemistry (DoSChem), Währingerstr. 42, 1090 Vienna, Austria.
Netsch J; Research Network Data Science, University of Vienna, Kolingasse 14-16, Vienna, Austria.
Pálvögyi ÁM; Department of Computational Biological Chemistry, Faculty of Chemistry, University of Vienna, Währingerstr. 17, A-1090 Vienna, Austria. christian.schroeder@univie.ac.at.
Steinhauser O; Institute of Applied Synthetic Chemistry, Vienna Technical University, Vienna, Austria.
Schröder C; Department of Computational Biological Chemistry, Faculty of Chemistry, University of Vienna, Währingerstr. 17, A-1090 Vienna, Austria. christian.schroeder@univie.ac.at.

Phys Chem Chem Phys ; 25(29): 19882-19890, 2023 Jul 26.

Article en En | MEDLINE | ID: mdl-37455677

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Phys Chem Chem Phys Asunto de la revista: BIOFISICA / QUIMICA Año: 2023 Tipo del documento: Article País de afiliación: Austria Pais de publicación: Reino Unido

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