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Molecular Packing and NPT-Molecular Dynamics Investigation of the Transferabilityof the RDX Intermolecular Potential to 2,4,6,8,10,12-Hexanitr ohexaazaisowurtzitane (HNIW)

机译：分子包装和NpT-分子动力学研究RDX分子间势向2,4,6,8,10,12-己烷ohexaazaisowurtititane（HNIW）的转移性

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We have explored the degree to which an intermolecular potential for theexplosive

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作者
SOrescu, D. C.; Thompson, D. L.; Rice, B. M.;
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年度 1998
页码
总页数 35
原文格式 PDF
正文语种 eng
中图分类工业技术;
关键词
Molecule molecule interactions; Rdx; Crystallography; Triazines; Crystalstructure; Predictions; Crystals; Phase; Thermal expansion; Anisotropy; Isotropism; Packaging; Expansion; Temperature coefficients; Rigidity; Polymorphism;

机译：分子分子相互作用; Rdx;晶体学;三嗪;晶体结构;预测;晶体;相;热膨胀;各向异性;各向同性;包装;膨胀;温度系数;刚性;多晶型;

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1. Molecular Packing and NPT-Molecular Dynamics Investigation of the Transferability of the RDX Intermolecular Potential to 2,4,6,8,10,12-Hexanitrohexaazaisowurtzitane [J] . Dan C. Sorescu, Betsy M. Rice, Donald L. Thompson The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical . 1998,第6期

机译：RDX分子间电位向2,4,6,8,10,12-六硝基六氮杂异纤锌矿型结构烷烃转移性的分子堆积和NPT分子动力学研究
2. Molecular Packing and NPT-Molecular Dynamics Investigation of the Transferability of the RDX Intermolecular Potential to 2,4,6,8,10,12-Hexanitrohexaazaisowurtzitane [J] . Dan C. Sorescu, Betsy M. Rice, Donald L. Thompson The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical . 1998,第5a8期

机译：RDX分子间电位向2,4,6,8,10,12-六硝基六氮杂异纤锌矿型结构烷烃转移性的分子堆积和NPT分子动力学研究
3. Investigations of the Intermolecular Forces between RDX and Polyethylene by Force-Distance Spectroscopy and Molecular Dynamics Simulations [J] . D. E. Taylor, K. E. Strawhecker, E. R. Shanholtz, The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2014,第27期

机译：力-距离谱法和分子动力学模拟研究RDX与聚乙烯之间的分子间力
4. INVESTIGATION OF THERMAL-DECOMPOSITION OF RDX/AP INTERMOLECULAR EXPLOSIVE [C] . Wang Xiaochuan Theory and practice of energetic materials . 2001

机译：RDX / AP分子间炸药的热分解研究
5. From ab initio intermolecular potentials to predictions of macroscopic thermodynamic properties and the global distribution of gas hydrates. [D] . Klauda, Jeffery Brian. 2003

机译：从头算分子间势到宏观热力学性质和天然气水合物全球分布的预测。
6. A new approach to empirical intermolecular and conformational potential energy functions. II. Applications to crystal packing rotational barriers and conformational analysis. [O] . A W Burgess, L L Shipman, H A Scheraga 1975

机译：经验分子间和构象势能函数的新方法。二。在晶体包装旋转势垒和构象分析中的应用。
7. Theoretical Investigations on the Roles of Intramolecular Structure Distortion versus Irregular Intermolecular Packing in Optical Spectra of 6T Nanoparticles [O] . -1

机译：对6T纳米粒子光谱分子间结构畸变与不规则分子包装的理论研究

Molecular Packing and NPT-Molecular Dynamics Investigation of the Transferabilityof the RDX Intermolecular Potential to 2,4,6,8,10,12-Hexanitr ohexaazaisowurtzitane (HNIW)

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