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Updated: Jun 21, 2025

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy
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在电场下的水调光器:一 Ab Initio 调查到量子精度

Marco Francesco Torre1, Alessandro Amadeo1,2, Giuseppe Cassone3

  • 1Department of Chemical, Biological, Pharmaceutical and Environmental Science, University of Messina, 98166 Messina, Italy.

The journal of physical chemistry. A
|July 8, 2024
PubMed
概括

密度函数理论 (DFT) 的计算高估了电场对水模体的影响. 这项研究将DFT与合集群方法进行了比较,揭示DFT在强电场 (EF) 中夸大了键强化10-30%.

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