Earth Mover’s Charge Transfer Distance: A General and Robust Approach for Describing Excited State Locality-Reference-Cited by-同舟云学术

Earth Mover’s Charge Transfer Distance: A General and Robust Approach for Describing Excited State Locality

Published:2024-02-26 Issue:7 Volume:20 Page:2751-2760
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Fraiponts Mathias¹²³,Maes Wouter²³^ORCID,Champagne Benoît¹^ORCID

Affiliation:

1. Laboratory of Theoretical Chemistry (LCT), Theoretical and Structural Physical Chemistry Unit, Namur Institute of Structured Matter, University of Namur, Rue de Bruxelles 61, 5000 Namur, Belgium

2. Design & Synthesis of Organic Semiconductors (DSOS), Hasselt University, Agoralaan 1, 3590 Diepenbeek, Belgium

3. IMEC, Institute for Materials Research (IMO-IMOMEC), Wetenschapspark 1, 3590 Diepenbeek, Belgium

Funder

Universiteit Hasselt

Fonds Wetenschappelijk Onderzoek

Universit? de Namur

Fonds De La Recherche Scientifique - FNRS

Waalse Gewest

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c01148

Reference48 articles.

1. Revealing the spin–vibronic coupling mechanism of thermally activated delayed fluorescence

2. Conformational, Host, and Vibrational Effects Giving Rise to Dynamic TADF Behavior in the Through-Space Charge Transfer, Triptycene Bridged Acridine-Triazine Donor Acceptor TADF Molecule TpAT-tFFO

3. Long‐Lived Charge‐Transfer State Induced by Spin‐Orbit Charge Transfer Intersystem Crossing (SOCT‐ISC) in a Compact Spiro Electron Donor/Acceptor Dyad

4. Spin-orbit coupling and intersystem crossing in molecules

5. Spin-Vibronic Mechanism for Intersystem Crossing

Cited by 1 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Benchmarking DFT-based excited-state methods for intermolecular charge-transfer excitations;Physical Chemistry Chemical Physics;2024