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Updated: Jun 23, 2025

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
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一个基于神经网络的四体潜在能量表面,用于对

Alexander Ibrahim1,2, Pierre-Nicholas Roy2

  • 1Department of Physics and Astronomy, University of Waterloo, 200 University Avenue West, Waterloo, Ontario N2L 3G1, Canada.

The Journal of chemical physics
|June 25, 2024
PubMed
概括

我们开发了一种新的四体相互作用潜在能量表面,用于对 (para-H2). 这种计算模型提高了对H2分子之间的相互作用预测的准确性,这对于分子模拟至关重要.

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