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  1. Home /
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  3. Vol. 7 No. 4 (2025)

Vol. 7 No. 4 (2025)

Published: 2025-09-05

Articles

  • Benchmarking Density Functional Theory for Noble Metal Hydrides: A High-Fidelity PES and Vibrational Analysis of the ${\rm AgAuH}^−$ Anion

    Yuquan Feng, Kaiyi Zhao, Jun Chen
    274-280
    • Preview
    • Full PDF
  • The Data-Centric Paradigm in Synthetic Chemistry: AI Reaction Modeling Needs More Than Reactant-Product Pairs

    Mingjun Yang, Peiyu Zhang
    • FULL PDF
  • Application of Modern Intelligent Algorithms in Retrosynthesis Prediction

    Jianhan Liao, Xiaoxin Shi, Ya Gao, Xingyu Wang, Tong Zhu
    • FULL PDF

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