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关于Na + Na2交换反应和Na3复合物的寿命预测基于神经网络潜在能量表面的量子动力学研究

Jiapeng Zhang1, Bayaer Buren2, Yongqing Li1

  • 1Department of Physics, Liaoning University, Shenyang 110036, China.

The journal of physical chemistry. A
|October 23, 2024
PubMed
概括

研究人员开发了一种精确的潜在能量表面,用于三聚合物 (Na3) 系统. 量子动力学模拟揭示了Na + Na2反应中复杂的能量转移和占主导地位的复杂形成机制.

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