Cost-Effective Simulations of Vibrationally-Resolved Absorption Spectra of Fluorophores with Machine-Learning-Based Inhomogeneous Broadening-Reference-Cited by-同舟云学术

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

Published:2023-04-05 Issue:8 Volume:19 Page:2304-2315
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Petrusevich Elizaveta F.¹²^ORCID,Bousquet Manon H. E.³,Ośmiałowski Borys⁴^ORCID,Jacquemin Denis³⁵^ORCID,Luis Josep M.²^ORCID,Zaleśny Robert¹^ORCID

Affiliation:

1. Faculty of Chemistry, Wrocław University of Science and Technology, Wyb. Wyspiańskiego 27, PL-50370 Wrocław, Poland

2. Institute of Computational Chemistry and Catalysis and Department of Chemistry, University of Girona, Campus de Montilivi, 17003 Girona, Catalonia, Spain

3. Nantes Université, CNRS, CEISAM UMR 6230, F-44000 Nantes, France

4. Faculty of Chemistry, Nicolaus Copernicus University, Gagarina Street 7, PL-87-100 Toruń, Poland

5. Institut Universitaire de France (IUF), F-75005 Paris, France

Funder

Ministerio de Ciencia e Innovaci?n

Narodowe Centrum Nauki

Generalitat de Catalunya

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c01285

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4. BODIPY dyes in photodynamic therapy

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