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Construction frontier molecular orbital prediction model with transfer learning for organic materialsopen access

Peng, Xinyu; Liang, Jiaojiao; Wang, Kuo; Zhao, Xiaojie; Peng, Zhiyan; Li, Zhennan; Zeng, Jinhui; Lan, Zheng; Lei, Min; Huang, Di

ArticleIssue Date2024Citationnpj Computational Materials, v.10, no.1PublisherNature Publishing Group | Shanghai Institute of Ceramics of the Chinese Academy of Sciences (SICCAS)
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