应用量子化学和机器学习构建水分子势能面——介绍一个综合计算化学实验
周佳
Constructing Potential Energy Surface of Water Molecule by Quantum Chemistry and Machine Learning: Introduction to a Comprehensive Computational Chemistry Experiment
Jia Zhou
大学化学
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2024, (3): 351
-358
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DOI: 10.3866/PKU.DXHX202309060