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通过深度学习增强,利用键信息高准确地探索形空间

Gyeongok Song1, Hyo Nam Jeon1, Jer-Lai Kuo2

  • 1Department of Energy Systems Research, Ajou University, Suwon, 16499, Korea.

Physical chemistry chemical physics : PCCP
|June 25, 2025
PubMed
概括

神经网络潜能使用碎片化方法准确预测形状. 这种方法确定了新的结构,匹配了DYYVVR.的实验冷离子光谱数据.

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