Mechanism investigation on the solid–solid phase transition of CL-20 induced by water vapor

Ya Guo, Xuetong Cai, Fangbao Jiao, Zhicheng Guo, Qi Huang and Qi Zhang

Phys. Chem. Chem. Phys., 2025, 27, 3253
DOI: 10.1039/D4CP04494K

The heterogeneous nucleation of pimelic acid under the effect of a template: experimental research and molecular simulation

Peng Yang, Ian Rosbottom, Zhonghua Li, Vivek Verma, Songgu Wu, Junbo Gong and Jerry Y. Y. Heng

CrystEngComm, 2022, 24, 2825
DOI: 10.1039/D1CE01591E

Hydrogen-bond mediated and concentrate-dependent NaHCO3 crystal morphology in NaHCO3–Na2CO3 aqueous solution: Experiments and computer simulations

Qiaoqiao Liu, Guihong Lin, Jian Zhou, Liangliang Huang and Chang Liu

Chinese Journal of Chemical Engineering, 2023, 55, 49
DOI: 10.1016/j.cjche.2022.05.007

A review on the preparation and characterization methods of spherical explosive crystals

Dongjie Liao, Minjie Li, Jiechao Wang, Minxue Zhang, Mianji Qiu and Chongwei An

Journal of Materials Research and Technology, 2023, 27, 3098
DOI: 10.1016/j.jmrt.2023.10.146

Influence of External Fields on the Morphology and Rate of Crystal Growth

Sushil Kumar

J. Res. Appl. Sci. Biotechnol., 2025, 4, 162
DOI: 10.55544/jrasb.4.3.18

Crystal Morphology Prediction of LTNR in Different Solvents by Molecular Dynamics Simulation

Da Li, Liang Song, Yin Yu, Yan Li and Xue-Hai Ju

Chemistry, 2025, 7, 161
DOI: 10.3390/chemistry7050161

Exploring the Effect of Solvent on Risperidone (Form I) Crystal Morphology: A Combination of Molecular Dynamics Simulation and Experimental Study

Zidan Cao, Jiao Sha, Jinju Ma, Yu Li, Tao Li and Baozeng Ren

SSRN Journal, 2022
DOI: 10.2139/ssrn.4048949

Improvement of powder properties of boscalid monohydrate by a quasi-emulsion solvent diffusion-based crystallization route

Zeren Shang, Weiguo Hu, Jingkang Wang and Junbo Gong

Journal of the Taiwan Institute of Chemical Engineers, 2025, 173, 106181
DOI: 10.1016/j.jtice.2025.106181

Exploring the solvent effect on risperidone (form I) crystal morphology: A combination of molecular dynamics simulation and experimental study

Zidan Cao, Yidan Wu, Miaosen Niu, Yu Li, Tao Li and Baozeng Ren

Journal of Molecular Liquids, 2023, 376, 121358
DOI: 10.1016/j.molliq.2023.121358

Analytical Techniques in Molecular Simulation and Its Application in Energetic Materials

Feng Gu, Qiaoli Li and Jijun Xiao

Langmuir, 2024, 40, 27137
DOI: 10.1021/acs.langmuir.4c04083

Exposed Facets and Surface Properties of Highly Explosive RDX Studied by the Crystal-Face-Indexing Method and Theoretical Calculations

Liyuan Wei, Yiru Chen, Yongjie Li, Yiyi Xiao, Mi Yan, Jinkun Guo, Xianggui Xue, Qilong Yan, Yu Liu and Shiliang Huang

Crystal Growth & Design, 2024, 24, 3632
DOI: 10.1021/acs.cgd.3c01404

Molecular dynamics simulation of TNT/ATL cocrystal morphology under different conditions

Da Li, Xuan Zhou, Xiu-Lin Zeng and Xue-Hai Ju

J Mol Model, 2026, 32
DOI: 10.1007/s00894-026-06672-0

The Effect of Solvents on the Crystal Morphology of Isosorbide Mononitrate and Its Molecular Mechanisms

Penghui Li, Guimin Zhang, Zongyi Zhou, Ying Sun, Yan Wang, Yu Yang and Xiaolai Zhang

Molecules, 2024, 29, 367
DOI: 10.3390/molecules29020367

A theoretical investigation into the solvent effect on crystal morphology of Nintedanib Esylate by molecular dynamic simulations and experiments

Jinju Ma, Mengqi Tian, Zhengyang Xi, Wei Liu, Xinding Yao and Baozeng Ren

Journal of Crystal Growth, 2025, 652, 128027
DOI: 10.1016/j.jcrysgro.2024.128027

Mechanistic Study on Interface Interactions and Its Effect on Crystal Growth─A Case of Cloxacillin Sodium Monohydrate

Jiamin Zhang, Na Wang, Yifu Zhang, Hongchang Wu, Xunhui Li, Xin Huang, Ting Wang, Lina Zhou and Hongxun Hao

Crystal Growth & Design, 2024, 24, 9965
DOI: 10.1021/acs.cgd.4c01147

Uncovering the Morphological Regulation Mechanism of Low Sensitivity and Highly Energetic Materials in Solvents: Changing Crystal Morphology Induced by Hydrogen Bonding

Ying Wang, Xiaoqing Zhou, Min Li, Xin Zhou, Zhen-Qi Zhang, Junbo Gong, Hongzhen Li and Qi Zhang

Crystal Growth & Design, 2022, 22, 5935
DOI: 10.1021/acs.cgd.2c00569

Interface interactions of epsilon-CL-20 and polymers: From simulation to experiment

Chengcheng Wu, Jianxin Nie, Shengwei Li, Di Wang and Xueyong Guo

Journal of Crystal Growth, 2023, 617, 127287
DOI: 10.1016/j.jcrysgro.2023.127287

Crystal Morphology Prediction Models and Regulating Methods

Yuan Gao, Wenxi Song, Jinyue Yang, Xiongtao Ji, Na Wang, Xin Huang, Ting Wang and Hongxun Hao

Crystals, 2024, 14, 484
DOI: 10.3390/cryst14060484

Quantitatively elucidate the reinforcement mechanism of bonding agents in azide propellant system via molecular dynamics simulation

Di Lei, Zhuo Wu, Xiang Guo, Wei Li, Lihua Gan, Lin Gan, Shuiping Zhou and Jin Huang

J Polym Res, 2025, 32
DOI: 10.1007/s10965-024-04253-4