Validation of Semi-Empirical xTB Methods for High-Throughput Screening of TADF Emitters: A 747-Molecule Benchmark Study

Fuente: arXiv

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Bibliographic Details
Main Authors:	Njafa, Jean-Pierre Tchapet, Tcheuffa, Elvira Vanelle Kameni, Maghame, Aissatou, Engo, Serge Guy Nana
Format:	Preprint
Published:	2025
Subjects:	Materials Science
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2511.00922