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Updated: Jun 18, 2025

Interfacial Molecular-level Structures of Polymers and Biomacromolecules Revealed via Sum Frequency Generation Vibrational Spectroscopy
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Interfacial Molecular-level Structures of Polymers and Biomacromolecules Revealed via Sum Frequency Generation Vibrational Spectroscopy

Published on: August 13, 2019

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基本不变神经网络 (FI-NN) 是OH + CH3OH与分析力反应的潜在能量表面

Kaisheng Song1, Jun Li1

  • 1School of Chemistry and Chemical Engineering & Chongqing Key Laboratory of Chemical Theory and Mechanism, Chongqing University, Chongqing 401331, P.R. China.

The journal of physical chemistry. A
|August 3, 2024
PubMed
概括

一种新的计算方法显著加快了OH + CH3OH反应的模拟,这对于燃烧和大气化学至关重要. 这种进步使用基本不变神经网络 (FI-NN) 准确的潜在能量表面,节省了大量的计算成本.

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