How the Interplay among Conformational Disorder, Solvation, Local, and Charge-Transfer Excitations Affects the Absorption Spectrum and Photoinduced Dynamics of Perylene Diimide Dimers: A Molecular Dynamics/Quantum Vibronic Approach-Reference-Cited by-同舟云学术

How the Interplay among Conformational Disorder, Solvation, Local, and Charge-Transfer Excitations Affects the Absorption Spectrum and Photoinduced Dynamics of Perylene Diimide Dimers: A Molecular Dynamics/Quantum Vibronic Approach

Published:2022-04-04 Issue:6 Volume:18 Page:3718-3736
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Segalina Alekos¹,Aranda Daniel²^ORCID,Green James A.³^ORCID,Cristino Vito⁴,Caramori Stefano⁴,Prampolini Giacomo⁵^ORCID,Pastore Mariachiara¹^ORCID,Santoro Fabrizio⁵^ORCID

Affiliation:

1. Université de Lorraine and CNRS, LPCT, UMR 7019, F-54000 Nancy, France

2. Instituto de Ciencia Molecular (ICMol), Universidad de Valencia, Catedrático J. Beltrán 2, 46980 Paterna, Valencia, Spain

3. Consiglio Nazionale delle Ricerche, Istituto di Biostrutture e Bioimmagini (IBB-CNR), via Mezzocannone 16, I-80136 Napoli, Italy

4. Dipartimento di Scienze Chimiche, Farmaceutiche ed Agrarie, Via Fossato di Mortara 17, 44121 Ferrara, Italy

5. Istituto di Chimica dei Composti Organo Metallici, Consiglio Nazionale delle Ricerche, (ICCOM-CNR), SS di Pisa, Area della Ricerca, via G. Moruzzi 1, I-56124 Pisa, Italy

Funder

Generalitat Valenciana

Fundaci?n Ram?n Areces

European Regional Development Fund

European Social Fund

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00063

Reference101 articles.