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Interpretable Machine Learning of Two‐Photon Absorption

Molecules with strong two‐photon absorption (TPA) are important in many advanced applications such as upconverted laser and photodynamic therapy, but their design is hampered by the high cost of experimental screening and accurate quantum chemical (QC) calculations. Here a systematic study is perfor...

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Detalles Bibliográficos
Autores principales: Su, Yuming, Dai, Yiheng, Zeng, Yifan, Wei, Caiyun, Chen, Yangtao, Ge, Fuchun, Zheng, Peikun, Zhou, Da, Dral, Pavlo O., Wang, Cheng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10015897/
https://www.ncbi.nlm.nih.gov/pubmed/36658720
http://dx.doi.org/10.1002/advs.202204902