Molecular dynamics simulations of solvent effects on the crystal morphology of lithium carbonate

Hang Chen, Shaojun Duan, Yuzhu Sun, Xingfu Song and Jianguo Yu

RSC Adv., 2020, 10, 5604
DOI: 10.1039/C9RA07909B

Preparation of CL-20/DNDAP cocrystals by a rapid and continuous spray drying method: an alternative to cocrystal formation

Ning Liu, Binghui Duan, Xianming Lu, Hongchang Mo, Minghui Xu, Qian Zhang and Bozhou Wang

CrystEngComm, 2018, 20, 2060
DOI: 10.1039/C8CE00006A

Solvent effects and its role in quantitatively manipulating the crystal growth: benzoic acid as case study

Yuan Wang and Zuozhong Liang

CrystEngComm, 2017, 19, 3198
DOI: 10.1039/C7CE00474E

Theoretical evaluation of hexazinane as a basic component of nitrogen-rich energetic onium salts

Sergey V. Bondarchuk

Mol. Syst. Des. Eng., 2020, 5, 1003
DOI: 10.1039/D0ME00007H

Morphology control of 3-nitro-1,2,4-triazole-5-one (NTO) by molecular dynamics simulation

Jing Li, Shaohua Jin, Guanchao Lan, Xiao Ma, Jian Ruan, Bo Zhang, Shusen Chen and Lijie Li

CrystEngComm, 2018, 20, 6252
DOI: 10.1039/C8CE00756J

Computational insights into the formation driving force of CL-20 based solvates and their desolvation process

Kun Wang and Weihua Zhu

CrystEngComm, 2021, 23, 2150
DOI: 10.1039/D0CE01648A

Predicting the crystal habit of photoinitiator XBPO and elucidating the solvent effect on crystal faces

Pei Zhao, Xiaohan Liu, Liping Wang, Zhenguo Gao, Yang Yang, Hongxun Hao, Chuang Xie and Ying Bao

CrystEngComm, 2019, 21, 2422
DOI: 10.1039/C8CE02114G

Tuning crystallization and stability of the metastable polymorph of dl-methionine by a structurally similar additive

Zhonghua Li, Peng Shi, Yang Yang, Panpan Sun, Yan Wang, Shijie Xu and Junbo Gong

CrystEngComm, 2019, 21, 3731
DOI: 10.1039/C9CE00009G

Significance of crystal habit sphericity in the determination of the impact sensitivity of bistetrazole-based energetic salts

Sergey V. Bondarchuk

CrystEngComm, 2018, 20, 5718
DOI: 10.1039/C8CE01117F

Crystal morphology prediction of energetic materials grown from solution: insights into the accurate calculation of attachment energies

Yingzhe Liu, Shiyao Niu, Weipeng Lai, Tao Yu, Yiding Ma, Hongxu Gao, Fengqi Zhao and Zhongxue Ge

CrystEngComm, 2019, 21, 4910
DOI: 10.1039/C9CE00848A

Growth mechanism study of clustered aggregates of dirithromycin crystals in N,N-dimethylformamide solvent

Yuan Wang and Zuozhong Liang

CrystEngComm, 2017, 19, 5583
DOI: 10.1039/C7CE01233K

Effect of organic solvents on calcium minodronate crystal morphology in aqueous solution: an experimental and theoretical study

Chen Zhuang, Muyuan Chai, Yuhui Zhang and Xuetao Shi

RSC Adv., 2023, 13, 2727
DOI: 10.1039/D2RA07130D

Improving the surface hydrophobicity by the solvent effect to reduce the water erosion of the CL-20/TNT cocrystal explosive

Yu Sha and Xiaobing Zhang

Phys. Chem. Chem. Phys., 2021, 23, 23341
DOI: 10.1039/D1CP03317D

Comparative study of melting points of 3,4-bis(3-nitrofurazan-4-yl)furoxan (DNTF)/1,3,3-trinitroazetidine (TNAZ) eutectic compositions using molecular dynamic simulations

Ning Liu, Svatopluk Zeman, Yuan-jie Shu, Zong-kai Wu, Bo-zhou Wang and Shi-wei Yin

RSC Adv., 2016, 6, 59141
DOI: 10.1039/C6RA12041E

A unified model of impact sensitivity of metal azides

Sergey V. Bondarchuk

New J. Chem., 2019, 43, 1459
DOI: 10.1039/C8NJ04658A

Effect of the solvent on the morphology of sulfamerazine crystals and its molecular mechanism

Liang Li, Xiongtao Ji, Xiaowei Cheng, Danning Li, Ting Wang, Xin Huang, Na Wang, Qiuxiang Yin and Hongxun Hao

CrystEngComm, 2022, 24, 5497
DOI: 10.1039/D1CE00667C

Design of solvent systems for preparation of ε-CL-20 crystals with high sphericity assisted by molecular simulation

Hongyu Wang, Guozhao Liu, Guanwen Su, Hongyuan Wei and Leping Dang

CrystEngComm, 2025, 27, 547
DOI: 10.1039/D4CE01181C

Understanding the growth morphology of explosive crystals in solution: insights from solvent behavior at the crystal surface

Yingzhe Liu, Weipeng Lai, Tao Yu, Yiding Ma, Ying Kang and Zhongxue Ge

RSC Adv., 2017, 7, 1305
DOI: 10.1039/C6RA26920F

Solvent Effects on the Crystal Morphology of Pentaerythritol Tetranitrate (PETN)

Jack V. Davis, Himanshu Singh, Jeremiah D. Moore, Christian F. A. Negre and Romain Perriot

Crystal Growth & Design, 2025, 25, 1940
DOI: 10.1021/acs.cgd.5c00146

Adsorption behavior of acetone solvent at the HMX crystal faces: A molecular dynamics study

Yingzhe Liu, Tao Yu, Weipeng Lai, Yiding Ma, Ying Kang and Zhongxue Ge

Journal of Molecular Graphics and Modelling, 2017, 74, 38
DOI: 10.1016/j.jmgm.2017.03.004

Deciphering Solvent Effect on Crystal Growth of Energetic Materials for Accurate Morphology Prediction

Yingzhe Liu, Tao Yu, Weipeng Lai, Yiding Ma, Yilin Cao, Ning Liu, Zhongxue Ge and Fengqi Zhao

Crystal Growth & Design, 2020, 20, 521
DOI: 10.1021/acs.cgd.9b01572

The Effect of Solvents on the Crystal Morphology of Pyriproxyfen

Xiaoyang Yan, Na Wang, Xiongtao Ji, Yaoguang Feng, Jun Li, Ting Wang, Xin Huang and Hongxun Hao

Crystals, 2023, 13, 195
DOI: 10.3390/cryst13020195

Investigation of the effect of the CAB/A3 system on HNIW-based PBXs using molecular dynamics

Guanchao Lan, Shaohua Jin, Dongxu Wang, Jing Li, Zhiyan Lu, Baochao Jing and Lijie Li

J Mol Model, 2018, 24
DOI: 10.1007/s00894-018-3670-3

Impact of bile salt on solution-mediated phase transformation of pharmaceutical cocrystals: The importance of coformer release kinetics

Jiahui Chen, Minshan Guo, Runhui Fan, Yayun Peng and Ting Cai

Chemical Engineering Journal, 2022, 435, 134928
DOI: 10.1016/j.cej.2022.134928

Theoretical insight on effect of DMSO-acetonitrile co-solvent on the formation of CL-20/HMX cocrystal explosive

Yiwei Zhang, Ruijun Gou and Yahong Chen

J Mol Model, 2021, 27
DOI: 10.1007/s00894-020-04621-z

The effect of crystal-solvent interaction on crystal growth and morphology

Jing-Wen Li, Shu-Hai Zhang, Rui-Jun Gou, Gang Han and Ming-Hua Chen

Journal of Crystal Growth, 2019, 507, 260
DOI: 10.1016/j.jcrysgro.2018.11.007

A Physical Organic Approach towards Statistical Modeling of Tetrazole and Azide Decomposition**

Jonas Rein, Jonathan M. Meinhardt, Julie L. Hofstra Wahlman, Matthew S. Sigman and Song Lin

Angewandte Chemie, 2023, 135
DOI: 10.1002/ange.202218213

Crystal morphology of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate (TKX-50) under solvents system with different polarity using molecular dynamics

Fang Chen, Tao Zhou, Jun Li, Xiaolu Wang, Duanlin Cao, Jianlong Wang and Zejin Yang

Computational Materials Science, 2019, 168, 48
DOI: 10.1016/j.commatsci.2019.05.060

Crystal morphology optimization of thiamine hydrochloride in solvent system: Experimental and molecular dynamics simulation studies

Yang Yang, Dandan Han, Shichao Du, Songgu Wu and Junbo Gong

Journal of Crystal Growth, 2018, 481, 48
DOI: 10.1016/j.jcrysgro.2017.10.022

Molecular dynamics investigation on the morphology of HNIW affected by the growth condition

Guanchao Lan, Shaohua Jin, Jing Li, Zhiyan Lu, Minglei Chen, Nana Wu, Shusen Chen and Lijie Li

Journal of Energetic Materials, 2019, 37, 44
DOI: 10.1080/07370652.2018.1522390

Morphology Prediction Methods and Their Applications in Energetic Crystals

Yongjie Li, Xianggui Xue, Chaoyu Wang, Yuchuan Shi, Zejun Wu and Chaoyang Zhang

Crystal Growth & Design, 2023, 23, 8436
DOI: 10.1021/acs.cgd.3c00734

Theoretical study on crystal morphologies of 1,1-diamino-2,2-dinitroethene in solvents: Modified attachment energy model and occupancy model

Ning Liu, Cheng Zhou, Zongkai Wu, Xianming Lu, Bozhou Wang and Wenliang Wang

Journal of Molecular Graphics and Modelling, 2018, 85, 262
DOI: 10.1016/j.jmgm.2018.08.001

Spheroidal crystal morphology of RDX in mixed solvent systems predicted by molecular dynamics

Fang Chen, Tao Zhou and Mengfei Wang

Journal of Physics and Chemistry of Solids, 2020, 136, 109196
DOI: 10.1016/j.jpcs.2019.109196

Theoretical study on the influence of different solvents on the growth morphology of 3,4-bis(3-nitrofurazan-4-yl)furoxan (DNTF)

Yanting Liang, Yiming Luo, Ruijun Gou, Xiaofeng Yuan, Qianjin Guo, Yahong Chen and Shuhai Zhang

J Mol Model, 2023, 29
DOI: 10.1007/s00894-023-05590-9

The role of microstructure in the impact induced temperature rise in hydroxyl terminated polybutadiene (HTPB)–cyclotetramethylene-tetranitramine (HMX) energetic materials using the cohesive finite element method

Ayotomi M. Olokun, Chandra Prakash, I. Emre Gunduz and Vikas Tomar

Journal of Applied Physics, 2020, 128
DOI: 10.1063/5.0011264

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

Growth morphology of CL-20/HMX cocrystal explosive: insights from solvent behavior under different temperatures

Gang Han, Qi-fa Li, Rui-jun Gou, Shu-hai Zhang, Fu-de Ren, Li Wang and Rong Guan

J Mol Model, 2017, 23
DOI: 10.1007/s00894-017-3525-3

Morphology and Growth Mechanism Study of Lithium Carbonate Synthesized by Reactive Crystallization

Shaojun Duan, Yuzhu Sun, Xingfu Song and Jianguo Yu

Crystal Research and Technology, 2018, 53
DOI: 10.1002/crat.201700185

Crystal morphology regulation of pronamide through solvent selection: Prediction and implementation

Liangcheng Song, Sheng Lv, Huai Guo, Yingbei Cui, Xiao Zhang, Shuguang Zhang, Yu Tian and Chunhui Yang

The Journal of Chemical Thermodynamics, 2022, 169, 106743
DOI: 10.1016/j.jct.2022.106743

2-Methyl-4-Nitroaniline Derived Novel Organic NLO crystal: Experimental and Theoretical Analysis

M. Shankar, K. Thirupugalmani, K. Nehru, S. Athimoolam, V. Tamilmani and I. Vetha Potheher

Journal of Molecular Structure, 2021, 1243, 130905
DOI: 10.1016/j.molstruc.2021.130905

Unveiling Crystal Structure Landscapes and Morphology Modification Rules of Substituted Benzophenone Crystals

Longping Jiang, Zichen Ning, Zhuoshan Gong, Limin Zhou, Li Xu, Hamza Shehzad, Jerry Y. Y. Heng and Jinbo Ouyang

Crystal Growth & Design, 2024
DOI: 10.1021/acs.cgd.4c00998

Rapid and High‐Yielding Formation of CL‐20/DNDAP Cocrystals via Self‐Assembly in Slightly Soluble‐Medium with Improved Sensitivity and Thermal Stability

Ning Liu, Binghui Duan, Xianming Lu, Hongchang Mo, Fuqiang Bi, Bozhou Wang, Jiaoqiang Zhang and Qi‐Long Yan

Propellants Explo Pyrotec, 2019, 44, 1242
DOI: 10.1002/prep.201900053

Molecular dynamics simulation of 1-methyl-4,5-dinitroimidazole (MDNI)/1-methyl-3,4,5-trinitropyrazole (MTNP) eutectic mixtures

Qiuhong Wu, Jun Jiang, Yiming Luo, Shuhai Zhang and Yahong Chen

J Mol Model, 2021, 27
DOI: 10.1007/s00894-021-04757-6

Bioinspired fabrication of insensitive 3,4-dinitrofurazanfuroxan@polydopamine@hydroxyl-terminated polybutadiene core–shell composites

Jingxuan Zhang, Yeming Huang, Xin Wang and Dunju Wang

J Polym Res, 2024, 31
DOI: 10.1007/s10965-024-04050-z

Formation of flake-like DAAF crystals with tunable size realized on a microfluidic platform for binder-free initiator explosives

Bo Yang, Shengshu Xi, Simin He, Jin Chen, Wei Cao, Rui Li, Rupeng Bu, Xiaona Huang, Jincan Zhu, Qi Wu, Weimiao Wang, Xiaodong Li and Guangcheng Yang

Chemical Engineering Journal, 2024, 499, 156518
DOI: 10.1016/j.cej.2024.156518

Molecular Modeling on Morphology of 3,4-Bis(3-nitrofurazan-4-yl)furoxan Crystals in Dichloroethane or Benzene Mixture Solvents

Liang Song, Feng-Qi Zhao, Si-Yu Xu and Xue-Hai Ju

J Mol Model, 2019, 25
DOI: 10.1007/s00894-019-4260-8

Investigating the solid-liquid extraction process of puerarin by molecular dynamics simulations

Yuefei Zhang, Zhangli Zhou, Lian Zou, Mei Zhang and Ruan Chi

International Journal of Heat and Mass Transfer, 2019, 143, 118584
DOI: 10.1016/j.ijheatmasstransfer.2019.118584

The study of external growth environments on the crystal morphology of ε-HNIW by molecular dynamics simulation

Guanchao Lan, Shaohua Jin, Jing Li, Junying Wang, Jinxin Li, Shusen Chen and Lijie Li

J Mater Sci, 2018, 53, 12921
DOI: 10.1007/s10853-018-2543-6

Solvent effect on the formation of NTO/TZTN cocrystal explosives

Yi Liu, Rui-jun Gou, Shu-hai Zhang, Ya-hong Chen, Hong-Jin Cheng and Ming-hua Chen

Computational Materials Science, 2019, 163, 308
DOI: 10.1016/j.commatsci.2019.03.035

Uncovering the action of ethanol controlled crystallization of 3,4-bis(3-nitrofurazan-4-yl)furoxan crystal: A molecular dynamics study

Liang Song, Feng-Qi Zhao, Si-Yu Xu and Xue-Hai Ju

Journal of Molecular Graphics and Modelling, 2019, 92, 303
DOI: 10.1016/j.jmgm.2019.08.008

Study on Cellulose Acetate Butyrate/Plasticizer Systems by Molecular Dynamics Simulation and Experimental Characterization

Weizhe Wang, Lijie Li, Shaohua Jin, Yalun Wang, Guanchao Lan and Yu Chen

Polymers, 2020, 12, 1272
DOI: 10.3390/polym12061272

A theoretical investigation into the effect of solvent on crystal morphology of 1-methyl-3,4,5-trinitro-1H-pyrazole (MTNP)

Qianjin Guo and Shuhai Zhang

Journal of Crystal Growth, 2023, 601, 126952
DOI: 10.1016/j.jcrysgro.2022.126952

Theoretical insight into the effect of solvent polarity on the formation and morphology of 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane (CL-20)/2,4,6-trinitro-toluene(TNT) cocrystal explosive

Chun-lei Wu, Shu-hai Zhang, Rui-jun Gou, Fu-de Ren, Gang Han and Shuang-fei Zhu

Computational and Theoretical Chemistry, 2018, 1127, 22
DOI: 10.1016/j.comptc.2018.02.007

High-Performance and Insensitive Dftnan-Dntf Eutectic: Binary Phase Diagram and Melting Kinetics

Chun Xiao, Qian Yu, Xiangyang Zheng, Baohui Zheng, Ya Guo, Guan Luo, Jin Bo and Jinshan Li

SSRN Journal, 2022
DOI: 10.2139/ssrn.4065785

Quantification of Impact Sensitivity Based on Solid-State Derived Criteria

Sergey V. Bondarchuk

J. Phys. Chem. A, 2018, 122, 5455
DOI: 10.1021/acs.jpca.8b01743

Construction of a physically cross-linked carrageenan/chitosan/calcium ion double-network hydrogel for 3-Nitro-1, 2, 4-triazole-5-one removal

Lun Huang, Shaohua Jin, Fang Bao, Shuxian Tang, Jueying Yang, Kelin Peng and Yu Chen

Journal of Hazardous Materials, 2022, 424, 127510
DOI: 10.1016/j.jhazmat.2021.127510

Crystal Morphology Prediction and Anisotropic Evolution of 1,1-Diamino-2,2-dinitroethylene (FOX-7) by Temperature Tuning

Liang Song, Feng-Qi Zhao, Si-Yu Xu, Xue-Hai Ju and Cai-Chao Ye

Sci Rep, 2020, 10
DOI: 10.1038/s41598-020-59261-3

Solvent effects on the crystal morphology of β-HMX studied by modified attachment energy and occupancy models

Kun Wang, Shiliang Huang and Weihua Zhu

Journal of Crystal Growth, 2022, 585, 126605
DOI: 10.1016/j.jcrysgro.2022.126605

High‐Performance and Insensitive DNTF‐DFTNAN Eutectic: Binary Phase Diagram and Characterization

Chun Xiao, Qian Yu, Xiangyang Zheng, Baohui Zheng, Ya Guo, Guan Luo, Bo Jin and Jinshan Li

Propellants Explo Pyrotec, 2022, 47
DOI: 10.1002/prep.202200166

Premature thermal decomposition behavior of 3,4-dinitrofurazanfuroxan with certain types of nitrogen-rich compounds

Jiao Huang, Ru-fang Peng and Bo Jin

Defence Technology, 2023, 26, 102
DOI: 10.1016/j.dt.2022.07.002

Oiling-Out Investigation and Morphology Control of β-Alanine Based on Ternary Phase Diagrams

Mengmeng Sun, Shichao Du, Mingyang Chen, Sohrab Rohani, Huihui Zhang, Ya Liu, PanPan Sun, Yaping Wang, Peng Shi, Shijie Xu and Junbo Gong

Crystal Growth & Design, 2018, 18, 818
DOI: 10.1021/acs.cgd.7b01293

Temperature-dependent spatial and temporal trends in archaeal lipid distributions

Siqi Zhao, Rui Bao, Long Zhou, Mingzhi Liu, Xiang Sun, Zhen Gao, Yang Zhou, Nan Wang, Yipeng Wang, Junhui Chen, Lei Xing and Chuanlun Zhang

Commun Earth Environ, 2025, 6
DOI: 10.1038/s43247-025-02450-7

Cocrystallisation of high-energy oxidant ammonium dinitramide with triaminoguanidine nitrate for reduced hygroscopicity

Shuai Zheng, Yinglei Wang, Dongdong Hu, Zhiyong Zhou, Chuan Xiao, Shichao Tian and Zhongqi Ren

Chinese Journal of Chemical Engineering, 2024, 74, 249
DOI: 10.1016/j.cjche.2024.01.026

Effect of solvent mixture on the formation of CL-20/HMX cocrystal explosives

Yi Liu, Rui-jun Gou, Shu-hai Zhang, Ya-Hong Chen, Ming-Hua Chen and Yu-Bing Liu

J Mol Model, 2020, 26
DOI: 10.1007/s00894-019-4265-3

A Physical Organic Approach towards Statistical Modeling of Tetrazole and Azide Decomposition**

Jonas Rein, Jonathan M. Meinhardt, Julie L. Hofstra Wahlman, Matthew S. Sigman and Song Lin

Angew Chem Int Ed, 2023, 62
DOI: 10.1002/anie.202218213

Comparative study of solvent-CL-20 interactions at different roughness crystal surfaces: Molecular dynamics simulation

Gang Han, Shu-hai Zhang, Rui-jun Gou and Jing-wen Li

Computational and Theoretical Chemistry, 2018, 1136-1137, 49
DOI: 10.1016/j.comptc.2018.05.017

A study of Solvent and Antisolvent Influence on the Crystal Morphology of ϵ‐CL‐20 by a Modified Attachment Energy Model

Li Zhao, Jing Li, Jinxuan He, Peicheng Luo, Liangwei Shi, Junhong Zhou and Aimin Pang

Propellants Explo Pyrotec, 2020, 45, 1117
DOI: 10.1002/prep.201900386

Crystalline behaviors of HMX-Al composites in solvents: A molecular dynamics and experimental study

Jun Tao and Xiaofeng Wang

J. Mater. Res., 2019, 34, 867
DOI: 10.1557/jmr.2018.485

Theoretical studies on the surface property, thermal behaviors, stability, and disassembly process of HMX/DMF cocrystal

Kun Wang and Weihua Zhu

Computational Materials Science, 2020, 178, 109643
DOI: 10.1016/j.commatsci.2020.109643

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

Molecular Simulation Studies on the Growth Process and Properties of Ammonium Dinitramide Crystal

Xinjian Chen, Lichao He, Xiangrong Li, Zhiyong Zhou and Zhongqi Ren

J. Phys. Chem. C, 2019, 123, 10940
DOI: 10.1021/acs.jpcc.9b00120

Face-Dependent Solvent Adsorption: A Comparative Study on the Interfaces of HMX Crystal with Three Solvents

Yingzhe Liu, Weipeng Lai, Yiding Ma, Tao Yu, Ying Kang and Zhongxue Ge

J. Phys. Chem. B, 2017, 121, 7140
DOI: 10.1021/acs.jpcb.7b04470

Application and Development of 3,4-Bis(3-nitrofurazan-4-yl)furoxan (DNTF)

Y. Li, J. M. Yuan, W. Zhao, Y. Qu, X. W. Xing, J. W. Meng and Y. C. Liu

Russ J Gen Chem, 2021, 91, 445
DOI: 10.1134/S1070363221030142

Understanding the Effect of Solvent on the Growth and Crystal Morphology of MTNP/CL‐20 Cocrystal Explosive: Experimental and Theoretical Studies

Shuang‐fei Zhu, Shu‐hai Zhang, Rui‐jun Gou, Chun‐lei Wu, Gang Han and Hong‐yun Jia

Crystal Research and Technology, 2018, 53
DOI: 10.1002/crat.201700299

The effect of solution conditions on the crystal morphology of β-HMX by molecular dynamics simulations

Jing Li, Shaohua Jin, Guanchao Lan, Zishuai Xu, Nana Wu, Shusen Chen and Lijie Li

Journal of Crystal Growth, 2019, 507, 38
DOI: 10.1016/j.jcrysgro.2018.10.056

Crystal structure and morphology of β-HMX in acetone: A molecular dynamics simulation and experimental study

JUN TAO and XIAOFENG WANG

J Chem Sci, 2017, 129, 495
DOI: 10.1007/s12039-017-1250-1

Molecular dynamics simulation on the morphology of 1,1-diamino-2,2-dinitroethylene (FOX-7) affected by dimethyl sulfoxide (DMSO) and temperature

Guanchao Lan, Shaohua Jin, Jing Li, Zhiyan Lu, Jian Ruan, Minglei Chen and Lijie Li

Can. J. Chem., 2019, 97, 538
DOI: 10.1139/cjc-2018-0437

Exploring the mechanism of asymmetric growth of organic polar crystals: Inherent properties, specific intermolecular interactions

Yuechao Cao, Jiawei Lin, Shengzheng Guo, Xuxing Wan, Zhenkai Cen, Songgu Wu and Junbo Gong

Chemical Engineering Science, 2024, 286, 119676
DOI: 10.1016/j.ces.2023.119676