Ab Initio Calculations of the N-N Bond Dissociation for the Gas-phase RDX and HMX
Author:
Publisher
Springer Science and Business Media LLC
Subject
Multidisciplinary
Link
http://www.nature.com/articles/srep40630.pdf
Reference16 articles.
1. Zenin, A. A. & Finjakov, S. V. Studying RDX and HMX combustion mechanisms by various experimental techniques. Combustion Explosion & Shock Waves 45, 559–578 (2009).
2. Meredith, K. V., Gross, M. L. & Beckstead, M. W. Laser-induced ignition modeling of HMX. Combustion & Flame 162, 506–515 (2014).
3. Yetter, R. A., Dryer, F. L., Allen, M. T. & Gatto, J. L. Development of gas-phase reaction mechanisms for nitramine combustion. Journal of Propulsion & Power 11, 683–697 (2015).
4. Lewis, James P., Glaesemann, Kurt R., Van Opdorp, Kirk, a. & Voth, G. A. Ab Initio Calculations of Reactive Pathways for α-Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (α-HMX). Journal of Physical Chemistry A 104 (2000).
5. Wang, L., Tuo, X., Yi, C. & Wang, X. Ab initio calculations of the effects of H+ and NH4+ on the initial decomposition of HMX. Journal of Molecular Graphics & Modelling 27, 388–393 (2008).
Cited by 16 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. An ab Initio Study of High‐Energetic Trioxatriazinane Derivatives: Conformational Analysis, Nitrogen Inversion, Heats of Formation, Dissociation Reaction, and Dimerization;ChemPhysChem;2024-02-15
2. Effects of Nanoparticle Size on the Thermal Decomposition Mechanisms of 3,5-Diamino-6-hydroxy-2-oxide-4-nitropyrimidone through ReaxFF Large-Scale Molecular Dynamics Simulations;Molecules;2023-12-21
3. Reactive molecular dynamics simulations on the decomposition process of 1,3,5-trinitro-1,3,5-triazine crystal under high temperatures and pressure;Journal of Molecular Modeling;2023-08-24
4. Application of Molecular Simulation Methods in Treating Intrinsic Structures of Energetic Materials;Intrinsic Structures and Properties of Energetic Materials;2023
5. Reaction mechanism and kinetics properties of β-HMX under different thermodynamics States: A theoretical study for thermal decomposition;Chemical Physics Letters;2022-10
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3