1. Identifying Possible Slip Systems of Molecular Crystals via a Geometry-Based Procedure; X. He, Z Zhang, C. Zhang and L. Niu; Cryst. Growth Des., 2024, 24, 4342; 2. The Correlation Between the Geometric Shape of Neutral Nitro Molecules and their Crystal Properties: a Statistical Study; X. He, Z Zhang, C. Zhang and X. Xue; Chin. J. Energ. Mater., 2024, 32, 501; 3. High-Throughput Design of Energetic Molecules; J. Liu, S. Zhao, B. Duan, X. He, C. Yang, X. Pu, X. Zhang, Y. Xiao, F. Nie, W. Qian, G. Li, C. Zhang; J. Mater. Chem. A, 2023, 11, 25031; 4. Benchmark calculations and error cancelations for bond dissociation enthalpies of X–NO2; J. Liu, X. He, Y. Xiong, F. Nie, C. Zhang; Def. Technol., 2023, 22, 144; 5. Encoding hexanitrobenzene (HNB) and 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) as two distinctive energetic nitrobenzene compounds by machine learning; R. Wang, J. Liu, X. He, W. Xie, C. Zhang; Phys. Chem. Chem. Phys., 2022, 24, 9875; 6. High Throughput Scanning of Dimer Interactions Facilitating to Confirm Molecular Stacking Mode: A Case of 1, 3, 5-Trinitrobenzene and Its Amino-derivatives; X. He, Y. Xiong, X. Wei, C, Zhang; Phys. Chem. Chem. Phys., 2019, 21, 17868; |