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Updated: Jun 9, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

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在气相和水溶液中模拟聚糖的键网络结构的分子动力学模拟

Pakuna Panbo1, Uthen Thubsuang2, Apirak Payaka1

  • 1School of Science, Walailak University, Nakhon Si Thammarat, 80160, Thailand.

Journal of molecular graphics & modelling
|October 22, 2024
PubMed
概括

聚糖 (PBZs) 形成结网络,阻碍水的相互作用,减少水溶液中的结构紧缩. 分子动力学模拟揭示了影响PBZ在水中的行为的特定分子内相互作用.

关键词:
压缩是压缩的方法.通过气结合,形成了气结合.联网的网络结构是以联网为基础的.分子动力学模拟的模拟.聚佐克萨辛 (Polybenzoxazine) 是一种多佐克萨辛 (Polybenzoxazine) 的一种化合物.

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