收藏本站
收藏 | 手机打开
二维码
手机客户端打开本文

Mechanism of Unimolecular Decomposition of RDX ana CL-20

张甜甜  Hui Mao  Kun Wang  Longjiu Cheng  
【摘要】:正RDX and CL-20 (Figure 1) are typical planer and cage-like nitramine explosives, respectively. It is an attractive research field of understanding the decomposition mechanisms of explosives, improving the performances, sensitivities, stabilities and physical properties of explosives. In this study, we have applied a Car–Parrinello molecular dynamic (CPMD) method to simulate the overall decomposition processes of RDX and CL-20 to figure out the mechanisms, including the single point energy of each step and the differences of the corresponding decomposition paths.

知网文化
【相似文献】
中国期刊全文数据库 前18条
1 JunRen Shi;Qian Niu;;Attractive electron-electron interaction induced by geometric phase in a Bloch band[J];Science China(Physics,Mechanics & Astronomy);2020年02期
2 Zhang Hui;;Which Chinese mainland city is most attractive for foreigners?[J];国际人才交流;2020年02期
3 Ruth A Huzzard;;请你来翻译(英文)[J];当代学生;2002年12期
4 Xiaoyun Zeng;Zhenggao Hu;Decun Zhang;;ON THE STABILITY OF A RECURSIVE SEQUENCE[J];Annals of Differential Equations;2013年02期
5 Jia-Yu Shi;Han Zhou;Run-Yi Mao;Yi Chen;Jing-Tao Li;Hai-Ying Huo;;A preliminary study on the key factors contributing to the attractive lips of Chinese children[J];Asian Pacific Journal of Tropical Medicine;2012年04期
6 Katsusuke Tajima;Recent Progress of Photonic Crystal Fibers[J];光学学报;2003年S1期
7 石功奇;丁培道;周守则;潘复生;;Surface Infiltrating Composite of Fe-base Metal and Ceramics[J];Journal of Materials Science & Technology;1992年03期
8 黄发朋;蔡一夫;李虹;张新民;;A possible interpretation of the Higgs mass by the cosmological attractive relaxion[J];Chinese Physics C;2016年11期
9 Xiulan Hu;Jianbo Zhang;Chao Ge;Huihong Huang;Nan Su;Jiexu Chen;;Novel Synthesis of Noble Metal-based Alloy Nanoparticles and Their Electrocatalytic Activities[J];功能材料信息;2016年02期
10 ;A PRACTICAL COMPUTER SYSTEM FOR TRANSMISSION ELECTRON MICROSCOPE IMAGE PROCESSING[J];Chinese Journal of Biomedical Engineering(English Edition);1993年04期
11 ;Study of the interfacial interactions in the molybdenite floatation system[J];Journal of China University of Mining & Technology;2008年01期
12 Hiroshi Araki;Akira Kohyama;Tetsuji Noda;;Effect of SiC Nanowires on Flexural Properties of CVI-SiC/SiC Composites[J];Annual Report of China Institute of Atomic Energy;2007年00期
13 刘智钢 ,廖六生;THE EXISTENCE OF PERIODIC SOLUTIONS AND GLOBAL ATTRACTIVITY OF A CONTINUOUS MODEL OF BOBWHITE QUAIL[J];Annals of Differential Equations;2002年03期
14 曾云波,陈登远;A Simple Approach to the Inverse Scattering Problem Via the Gauge Transformations[J];Acta Mathematica Scientia;1984年04期
15 Klemen Bohinc;Leo Lue;;INTERACTION OF SIMILARLY CHARGED SURFACES MEDIATED BY NANOPARTICLES[J];Chinese Journal of Polymer Science;2011年04期
16 Yirong Su;Wenbo Ma;Yang (Michael) Yang;;Perovskite semiconductors for direct X-ray detection and imaging[J];Journal of Semiconductors;2020年05期
17 Zhongqiu Tong;Yanlong Tian;Hongming Zhang;Xingang Li;Junyi Ji;Huiying Qu;Na Li;Jiupeng Zhao;Yao Li;;Recent advances in multifunctional electrochromic energy storage devices and photoelectrochromic devices[J];Science China(Chemistry);2017年01期
18 Elena N.Velichko;Galina L.Klimchitskaya;Elina N.Nepomnyashchaya;;Casimir Effect in Optoelectronic Devices Using Ferrofluids[J];Journal of Electronic Science and Technology;2020年01期
中国重要会议论文全文数据库 前20条
1 王静;Shuo Zhang;Weizhong Ding;Chenghan Wang;Xiaoyu Wu;;Catalytic Enantioselective Vinylogous Mannich Addition of Coumarins to Isatin Imines[A];中国化学会·第十六届全国有机合成化学学术研讨会论文摘要集[C];2019年
2 Na Qiao;Yuan-He Li;Jie Dong;Wen-Min Wang;;Ln_6~Ⅲ Clusters Showing Magnetocaloric Effect and SMM Behavior[A];中国化学会第十届全国无机化学学术会议论文集(第二卷)[C];2019年
3 张甜甜;Hui Mao;Kun Wang;Longjiu Cheng;;Mechanism of Unimolecular Decomposition of RDX ana CL-20[A];2019中国化学会第十五届全国计算(机)化学学术会议论文集[C];2019年
4 Lu Wang;Chaorong Qi;Ruixiang Cheng;Hongjian Liu;Huanfeng Jiang;;Direct Access to Trifluoromethyl-Substituted Carbamates from Carbon Dioxide via Copper-Catalyzed Cascade Cyclization of Enynes[A];中国化学会·第一届全国二氧化碳资源化利用学术会议摘要集[C];2019年
5 Yanpeng Xing;Guorong Sheng;Zao Du;Chen Wang;Ping Lu;Yanguang Wang;;Preparation and Synthetic Applications of 3-Diazoindolin-2-imines[A];中国化学会第九届全国有机化学学术会议论文摘要集(1)[C];2015年
6 姚小军;;In silico prediction of deleterious single amino acid polymorphisms of proteins from amino acid sequence[A];中国化学会第27届学术年会第15分会场摘要集[C];2010年
7 喻学锋;孙正博;李敏;王取泉;李文鑫;;Synthesis of Efficient Upconversion Nanoprobes for High-Contrast Bioimaging In Vivo[A];2011中国材料研讨会论文摘要集[C];2011年
8 Ningjuan Zheng;Bingzhu Yin;;Synthsis and properties of T-type organic conjugates based on 3,6-disubstituted pyridazinotetrathiafulvalene[A];全国第十六届大环化学暨第八届超分子化学学术讨论会论文摘要集[C];2012年
9 ;Synthesis and Photovoltaic Properties of Novel Organic Molecule Containing Triphenylamine Dyes[A];全国第八届有机固体电子过程暨华人有机光电功能材料学术讨论会摘要集[C];2010年
10 Guochen Pang;Zhong Xiang;Feng Zhao;;Composite Homogeneous Parameter Dependent Quadratic Lyapunov Functions[A];第36届中国控制会议论文集(A)[C];2017年
11 Tiebo Xiao;周磊;;Synthesis of Indolo [2,1-α] isoquinolines via Visible-light Induced Formal [4+1] Annulation Between Diazo Compounds and N-Aryl Tetrahydroisoquinolines[A];中国化学会第九届全国有机化学学术会议论文摘要集(3)[C];2015年
12 ;Design,Synthsis and characterization of T-type organic conjugates based on 3,6-disubstituted pyridazinotetrathiafulvalene unit[A];中国化学会第28届学术年会第15分会场摘要集[C];2012年
13 ;Graphene Transistors for Electrical Recording from Hearts[A];中国化学会第28届学术年会第4分会场摘要集[C];2012年
14 Rongrong Bao;Chengyi Zhang;Xiujuan Zhang;Xiaohong Zhang;;Controllable Patterning Growth of Ordered Organic Single-crystal Nanostructures[A];第十六届全国晶体生长与材料学术会议论文集-08纳米晶体及其表征[C];2012年
15 ;Facile and Rapid Green Synthesis of 1,5-Diketones under Solvent-free Conditions[A];中国化学会第四届有机化学学术会议论文集(下册)[C];2005年
16 ;Novel Multinuclear Cyclophosphazene Complexes as Potent Promoters of Plasmid DNA(pUC19)Cleavage[A];第六届全国化学生物学学术会议论文摘要集[C];2009年
17 ;Novel Fe_3O_4/PPy/P(MAA-co-AAm)Multilayered Composite Microspheres with Electric,Magnetic and pH response[A];全国第八届有机固体电子过程暨华人有机光电功能材料学术讨论会摘要集[C];2010年
18 ;Polyoxometalate-based Crystalline Materials-immobilized Noble Metal Nanoparticles:Preparation and Property[A];中国化学会第六届全国结构化学学术会议论文摘要[C];2012年
19 G.F.Zhou;;Progress in Electronic Paper Display[A];“广东省光学学会2013年学术交流大会”暨“粤港台光学界产学研合作交流大会”会议手册论文集[C];2013年
20 Xin Xue;Hao-Peng Sun;Qi-Dong You;;A novel ensemble strategy with a high hit rate in MDM2 inhibitor study[A];2012长三角药物化学研讨会论文集[C];2012年
中国硕士学位论文全文数据库 前2条
1 苏安娜;中国和拉脱维亚文化合作与发展:2001-2011[D];浙江大学;2012年
2 Jérémie CHAUVIN;面向产品服务系统开发的客户需求和满意度分析[D];上海交通大学;2014年
中国重要报纸全文数据库 前1条
1 易水;计算机专业时文选读(934)[N];计算机世界;2004年
中国知网广告投放
 快捷付款方式  订购知网充值卡  订购热线  帮助中心
  • 400-819-9993
  • 010-62982499
  • 010-62783978