1. 毕业设计（论文）的内容和要求

1、分子模拟。

利用分子模拟软件materials studio模拟晶体的结构，建立晶体的3d模型。

2、理论计算。

2. 参考文献

[1] Kira B. Landenberger, Onas Bolton, Adam J. Matzger. Energetic#8722;Energetic Cocrystals of Diacetone Diperoxide (DADP): Dramatic and Divergent Sensitivity Modifications via Cocrystallization. J. Am. Chem. Soc. 2015, 137, 5074#8722;5079 [2] Xianfeng Wei, Anbang Zhang, Yu Ma, Xianggui Xue, Junhong Zhou, Yuanqiang Zhu, Chaoyang Zhang. Toward low-sensitive and high-energetic cocrystal III: thermodynamics of energetic#8211;energetic cocrystal formation. CrystEngComm, 2015, 17, 9037#8211;9047 [3] Jin-Ting Wu, Jian-Guo Zhang, Tong Li, Zhi-Min Li, Tong-Lai Zhang. A novel cocrystal explosive NTO/TZTN with good comprehensive properties. RSC Adv., 2015, 5, 28354#8211;28359 [4] D. Spitzer, B. Risse, F. Schnell, V. Pichot, M. Klaumunzer M. R. Schaefer. Continuous engineering of nano-cocrystals for medical and energetic applications. Scientific Reports, 2014, 4:6575 [5] Hongwei Qiu, Rajen B. Patel, Reddy S. Damavarapu, Victor Stepanov. Nanoscale 2CL-20#183;HMX high explosive cocrystal synthesized by bead milling. CrystEngComm, 2015, 17, 4080#8211;4083 [6] Levinthal, M. L. Propellant made with co-crystals of cyclotetramethylenetetranitermine and ammonium perchlorate [P]. US Patent, 40816110, 1978, 4, 25. [7] Kira B. Landenberger, Adam J. Matzger. Cocrystal Engineering of a Prototype Energetic Material: Supramolecular Chemistry of 2,4,6-Trinitrotoluene. Crystal Growth Design, 2010, 12, 5341-5347 [8] Kira B. Landenberger, Adam J. Matzger. Cocrystals of 1,3,5,7-Tetranitro-1,3,5,7-tetrazacyclooctane (HMX).Crystal Growth Design. 2012, 12, 3603-3609 [9] Kira B. Landenberger, Onas Bolton, Adam J. Matzger. Two Isostructural Explosive Cocrystals with Significantly Different Thermodynamic Stabilities. Angew. Chem. Int. Ed. 2013, 52, 6468-6471 [10] David I. A. Millar, Helen E. Maynard-Casely, David R. Allan et al. Crystal engineering of energetic materials: Co-crystals of CL-20. CrystEngComm, 2012, 14, 3742-3749 [11] Onas Bolton, Adam J. Matzger. Improved Stability and Smart-Material Functionality Realized in an Energetic Cocrystal. Angew. Chem. Int. Ed. 2011, 50, 8960-8963

3. 毕业设计（论文）进程安排

2019.1-2019.2 查阅文献资料，撰写综述； 2019.3-2019.4 实验阶段； 2019.5-2019.6 撰写论文