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Updated: Jan 12, 2026

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从液态水的XAS光谱解读电荷转移和结合特征

Alekos Segalina1,2, Taehwan Jang1,3, Minho M Kim1

  • 1Department of Chemistry, Korea Advanced Institute of Science and Technology (KAIST), Daejeon 34141, Republic of Korea.

Journal of chemical theory and computation
|November 4, 2025
PubMed
概括

模拟水的X射线吸收光谱 (XAS) 光谱显示,键 (HB) 网络显著影响电荷转移 (CT) 特性. 准确的HB结构采样对于解释水的解释至关重要.

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