Supplemental material
Molecular Simulation
Volume 48, 2022 - Issue 2
Articles
Solvatochromism of a D205 indoline dye at the interface of a small TiO2-anatase nanoparticle in acetonitrile: a combined molecular dynamics simulation and DFT calculation study
Daria S. Stepaniuka School of Chemistry, V. N. Karazin Kharkiv National University, Kharkiv, Ukraine
https://orcid.org/0000-0002-2629-0427View further author information
https://orcid.org/0000-0002-2629-0427View further author information, Margaret M. Blazhynskaa School of Chemistry, V. N. Karazin Kharkiv National University, Kharkiv, Ukraine;b University of Lille, CNRS, UMR 8516- LASIRe, Laboratoire Avancé de Spectroscopie pour les Interations, Lille, Francehttps://orcid.org/0000-0003-0749-8772View further author information
https://orcid.org/0000-0003-0749-8772View further author information, , Alexander Kyrychenkoa School of Chemistry, V. N. Karazin Kharkiv National University, Kharkiv, UkraineCorrespondence[email protected]
https://orcid.org/0000-0002-6223-0990View further author information
https://orcid.org/0000-0002-6223-0990View further author information, François-Alexandre Miannayb University of Lille, CNRS, UMR 8516- LASIRe, Laboratoire Avancé de Spectroscopie pour les Interations, Lille, Francehttps://orcid.org/0000-0003-1131-8287View further author information
https://orcid.org/0000-0003-1131-8287View further author information, Abdenacer Idrissib University of Lille, CNRS, UMR 8516- LASIRe, Laboratoire Avancé de Spectroscopie pour les Interations, Lille, Francehttps://orcid.org/0000-0002-6924-6434View further author information
https://orcid.org/0000-0002-6924-6434View further author information & Oleg N. Kalugina School of Chemistry, V. N. Karazin Kharkiv National University, Kharkiv, Ukrainehttps://orcid.org/0000-0003-3273-9259View further author information
https://orcid.org/0000-0003-3273-9259View further author information show allReprints and Corporate Permissions
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Related Research Data
Solvatochromism of a D205 indoline dye at the interface of a small TiO2-anatase nanoparticle in acetonitrile: a combined molecular dynamics simulation and DFT calculation study
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