Predicting the UV–vis spectra of oxazine dyes

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• Leontieva, S. VIBRONIC SPECTRA OF OXAZINE 750 DYE IN AQUEOUS MEDIA: A COMPUTATIONAL STUDY. Russian Journal of Biological Physics and Chemisrty 2024, 8, 429–439. doi:10.29039/rusjbpc.2023.0643
• Nguyen Thi Minh, N.; König, C. The role of microenvironments on computed vibrationally-resolved emission spectra: The case of oxazines. Journal of computational chemistry 2024, 45, 2232–2241. doi:10.1002/jcc.27385
• Smati, S.; Djafri, A.; Menad, K.; Boukabcha, N.; Rahmani, R.; Goudjil, M.; Megrouss, Y.; Khaldi, H.; Dege, N.; Chouaih, A.; Djafri, A. Synthesis, molecular structure, Hirshfeld surface analysis, NCI-RDG, spectral characterization analysis, nonlinear optical properties, and in silico molecular docking of (E)-3-(3-(2-methoxyphenyl)-4-methylthiazol-2(3H)-ylidene) benzo[4,5] imidazo [1,2-c] thiazole-1(3H)-thione. Journal of Molecular Structure 2024, 1318, 139157. doi:10.1016/j.molstruc.2024.139157
• Kostjukov, V. V. TD‐DFT analysis of the excitation of H‐dimers of cationic dyes in an aqueous solution using functionals without additional dispersion correction. International Journal of Quantum Chemistry 2024, 124. doi:10.1002/qua.27349
• Shi, Q.; Gao, L.; Li, W.; Wang, J.; Shi, Z.; Li, Y.; Chen, J.; Ji, Y.; An, T. Oligomerization Mechanism of Methylglyoxal Regulated by the Methyl Groups in Reduced Nitrogen Species: Implications for Brown Carbon Formation. Environmental science & technology 2024, 58, 1563–1576. doi:10.1021/acs.est.3c05983
• Kjær, C.; Vogt, E.; Langeland, J.; Christensen, N. F.; Lindkvist, T. T.; Kjaergaard, H. G.; Nielsen, S. B. Cryogenic fluorescence spectroscopy of oxazine ions isolated in vacuo. Physical chemistry chemical physics : PCCP 2023, 25, 32715–32722. doi:10.1039/d3cp04615j
• Takeshita, T.; Kinoshita, D. Evaluation of darrow red-organosilane composite as a photosensitizer for application in dye-sensitized zinc oxide photocatalysts: DFT and TD-DFT studies. Journal of molecular modeling 2022, 28, 407. doi:10.1007/s00894-022-05397-0
• Kostjukov, V.; Leontieva, S.; Savchenko, E.; Rybakova, K.; Voronin, D. PHOTOEXCITATION OF NILE BLUE DYE IN AQUEOUS SOLUTION: TD-DFT STUDY. Russian Journal of Biological Physics and Chemisrty 2022, 7, 209–221. doi:10.29039/rusjbpc.2022.0505
• Saraydın, D.; Işıkver, Y.; Karadağ, E. An evaluation on S-type adsorption isotherm in the model of crosslinked polyhydroxamates/oxazine dyes/water interactions. Adsorption 2022, 28, 249–260. doi:10.1007/s10450-022-00367-7
• Wei, P.; Guo, Y.; Liu, L.; Zhou, X.; Yi, T. Hypochlorous acid triggered fluorescent probes for in situ imaging of a psoriasis model. Journal of materials chemistry. B 2022, 10, 5211–5217. doi:10.1039/d2tb00765g
• Kostjukov, V. V. Photoexcitation of oxazine 4 dye in aqueous solution: TD-DFT study. Chemical Physics 2022, 553, 111399. doi:10.1016/j.chemphys.2021.111399
• Kostjukov, V. V. Photoexcitation of cresyl violet dye in aqueous solution: TD-DFT study. Theoretical Chemistry Accounts 2021, 140, 1–12. doi:10.1007/s00214-021-02853-7
• Yaroshenko, N. S.; Kostjukova, L. O.; Kostjukov, V. V. Excited states of six oxazine 1 conformers in aqueous solution: TD-DFT/DFT study. Journal of Molecular Liquids 2021, 341, 117456. doi:10.1016/j.molliq.2021.117456
• Kostjukov, V. V. Photoexcitation of brilliant cresyl blue dye in aqueous solution: TD-DFT study. Molecular Physics 2021, 120. doi:10.1080/00268976.2021.1996647
• Kostjukov, V. V. Photoexcitation of oxazine 170 dye in aqueous solution: TD-DFT study. Journal of molecular modeling 2021, 27, 1–11. doi:10.1007/s00894-021-04931-w
• Kostjukova, L. O.; Leontieva, S. V.; Kostjukov, V. V. Vibronic absorption spectrum and electronic properties of azure C in aqueous solution: TD-DFT study. Theoretical Chemistry Accounts 2021, 140, 1–8. doi:10.1007/s00214-021-02808-y
• Vo, L.; Legaard, E.; Thrasher, C.; Jaffe, A.; Berden, G.; Martens, J.; Oomens, J.; O’Brien, R. E. UV/Vis and IRMPD Spectroscopic Analysis of the Absorption Properties of Methylglyoxal Brown Carbon. ACS Earth and Space Chemistry 2021, 5, 910–919. doi:10.1021/acsearthspacechem.1c00022
• Khan, M. F. S.; Wu, J.; Cheng, C.; Akbar, M.; Liu, B.; Liu, C.; Shen, J.; Xin, Y. Insight into fluorescence properties of 14 selected toxic single-ring aromatic compounds in water: Experimental and DFT study. Frontiers of Environmental Science & Engineering 2020, 14, 1–16. doi:10.1007/s11783-020-1219-z

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