Non-orthogonal Configuration Interaction Study on the Effect of Thermal Distortions on the Singlet Fission Process in Photoexcited Pure and B,N-Doped Pentacene Crystals-Reference-Cited by-同舟云学术

Non-orthogonal Configuration Interaction Study on the Effect of Thermal Distortions on the Singlet Fission Process in Photoexcited Pure and B,N-Doped Pentacene Crystals

Published:2023-08-10 Issue:33 Volume:127 Page:16249-16258
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

López Xavier¹^ORCID,Straatsma Tjerk P.²³,Sánchez-Mansilla Aitor¹^ORCID,de Graaf Coen¹⁴^ORCID

Affiliation:

1. Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, Marcel·lí Domingo 1, 43007 Tarragona, Spain

2. National Center for Computational Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6373, United States of America

3. Department of Chemistry and Biochemistry, University of Alabama, Tuscaloosa, Alabama 35487-0336, United States of America

4. Institució Catalana de Recerca i Estudis Avançats (ICREA). Passeig Lluís Companys 23, 08010 Barcelona, Spain

Funder

Partnership for Advanced Computing in Europe AISBL

Ministerio de Ciencia e Innovaci?n

Departament d'Universitats, Recerca i Societat de la Informaci?

Office of Science

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.3c02083

Reference59 articles.

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