Cost-Effective Simulations of Vibrationally-Resolved Absorption Spectra of Fluorophores with Machine-Learning-Based Inhomogeneous Broadening.

Petrusevich, Elizaveta F; Bousquet, Manon H E; Osmialowski, Borys; Jacquemin, Denis; Luis, Josep M; Zalesny, Robert

Petrusevich, Elizaveta F; Bousquet, Manon H E; Osmialowski, Borys; Jacquemin, Denis; Luis, Josep M; Zalesny, Robert.

Afiliação

Petrusevich EF; Faculty of Chemistry, Wroclaw University of Science and Technology, Wyb. Wyspianskiego 27, PL-50370 Wroclaw, Poland.
Bousquet MHE; Institute of Computational Chemistry and Catalysis and Department of Chemistry, University of Girona, Campus de Montilivi, 17003 Girona, Catalonia, Spain.
Osmialowski B; Nantes Université, CNRS, CEISAM UMR 6230, F-44000 Nantes, France.
Jacquemin D; Faculty of Chemistry, Nicolaus Copernicus University, Gagarina Street 7, PL-87-100 Torun, Poland.
Luis JM; Nantes Université, CNRS, CEISAM UMR 6230, F-44000 Nantes, France.
Zalesny R; Institut Universitaire de France (IUF), F-75005 Paris, France.

J Chem Theory Comput ; 19(8): 2304-2315, 2023 Apr 25.

Article em En | MEDLINE | ID: mdl-37096370

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Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Health_economic_evaluation / Prognostic_studies Idioma: En Ano de publicação: 2023 Tipo de documento: Article

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Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Health_economic_evaluation / Prognostic_studies Idioma: En Ano de publicação: 2023 Tipo de documento: Article