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Updated: Jul 12, 2025

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一个分子内振动激发的分子间潜在能量表面,并预测了H2O-Kr的2OH外调光谱

Xiao-Long Zhang1, Shu-Bin Yang1, Dan Hou2

  • 1The Laboratory of Theoretical and Computational Chemistry, School of Chemistry and Chemical Engineering, Yantai University, Yantai 264005, P. R. China.

Physical chemistry chemical physics : PCCP
|October 30, 2023
PubMed
概括

为H2O-Kr复合体开发了一种新的潜在能量表面 (PES),可以准确地预测红外变化,用于高调光谱学. 这项工作为未来的实验研究提供了可靠的理论指导.

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