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Updated: Jun 14, 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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关于DNA和DNA-H2O-CH3OH溶液的多视角相互作用分析的理论研究

Li Tang1, Lin-Yan Wang2, Jian-Hui Han3

  • 1State Key Laboratory of Laser Propulsion & Application, Department of Aerospace Science Technology, Space Engineering University, Beijing, 101416, China. TangLi@hgd.edu.cn.

Journal of molecular modeling
|September 6, 2024
PubMed
概括

分析了氨基丁胺 (ADN) 液体推进剂中的分子间相互作用. 添加水和甲醇稍微降低了爆炸性能,但降低了灵敏度,改善了整体性能和扩大了应用.

关键词:
在DNA和DNA-H2O-CH3OH溶液中.密度函数理论密度函数理论引爆性能 引爆性能 引爆性能电子属性 电子属性分子间相互作用 分子间相互作用

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Titration in Nonaqueous Solvents

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Intermolecular Forces in Solutions

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