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Integration of Quantum Chemistry, Statistical Mechanics, and Artificial Intelligence for Computational Spectroscopy: The UV–Vis Spectrum of TEMPO Radical in Different Solvents

[Image: see text] The ongoing integration of quantum chemistry, statistical mechanics, and artificial intelligence is paving the route toward more effective and accurate strategies for the investigation of the spectroscopic properties of medium-to-large size chromophores in condensed phases. In this...

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Detalles Bibliográficos
Autores principales:	Falbo, Emanuele, Fusè, Marco, Lazzari, Federico, Mancini, Giordano, Barone, Vincenzo
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2022
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9558374/ https://www.ncbi.nlm.nih.gov/pubmed/36166322 http://dx.doi.org/10.1021/acs.jctc.2c00654

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