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Updated: Jun 12, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Published on: April 12, 2019

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使用结合的潜在能量和双极矩阵模拟的浮盘工程光解离

Chris Avanessian1, Yuchen Wang1, David R Yarkony1

  • 1Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218, United States.

The journal of physical chemistry letters
|September 20, 2024
PubMed
概括

外部激光场通过创建光诱导的形交叉点,极大地改变了氨光解离路径. 这种光双极相互作用显著改变了地面和激发状态NH2的分支比,突出显示了非adiabatic效应.

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