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Journal of Molecular Modeling|January 14, 2023
TDDFT calculations of the PETN's ultraviolet absorption spectrum under the electric field loadingBao-Sen Zhang, Shu-Hai Zhang, Fu-de Ren, et al.Journal of Molecular Modeling|November 22, 2017
Theoretical investigation of the safety of nitroguanidine-based PBXs containing the nonpolar desensitizing agent polytetrafluoroethyleneZhong-Qing Xue, Jing He, Jun Zhang, et al.Journal of Molecular Modeling|September 4, 2009
A UB3LYP and UMP2 theoretical investigation on unusual cation-pi interaction between the triplet state HB=BH (3 Sigma g-) and H+, Li +, Na +, Be 2+ or Mg 2+Fu-de Ren, Jun Ren, Sheng-nan Liu, et al.Journal of Molecular Modeling|November 28, 2017
Theoretical investigation of the effects of the molar ratio and solvent on the formation of the pyrazole-nitroamine cocrystal explosive 3,4-dinitropyrazole (DNP)/2,4,6,8,10,12-hexanitrohexaazaisowurtzitane (CL-20)Shuang-Fei Zhu, Shu-Hai Zhang, Rui-Jun Gou, et al.Physical Chemistry Chemical Physics : PCCP|January 11, 2024
Finite temperature string by <i>K</i>-means clustering sampling with order parameters as collective variables for molecular crystals: application to polymorphic transformation between β-CL-20 and ε-CL-20Fu-de Ren, Ying-Zhe Liu, Ke-Wei Ding, et al.Journal of Molecular Modeling|January 2, 2021
A theoretical investigation into the cooperativity effect on the TNT melting point under external electric fieldFu-de Ren, Wen-Jing Shi, Duan-Lin Cao, et al.Journal of Molecular Modeling|December 18, 2008
A theoretical study on unusual intermolecular T-shaped X-H...pi interactions between the singlet state HB=BH and HF, HCl, HCN or H2C2Fu-de Ren, Duan-Lin Cao, Wen-Liang Wang, et al.Journal of Molecular Modeling|November 30, 2017
Growth morphology of CL-20/HMX cocrystal explosive: insights from solvent behavior under different temperaturesGang Han, Qi-Fa Li, Rui-Jun Gou, et al.Molecules (Basel, Switzerland)|March 29, 2023
Strong External Electric Fields Reduce Explosive Sensitivity: A Theoretical Investigation into the Reaction Selectivity in NH<sub>2</sub>NO<sub>2</sub>∙∙∙NH<sub>3</sub>Fu-De Ren, Ying-Zhe Liu, Xiao-Lei Wang, et al.Advanced Science (Weinheim, Baden-Wurttemberg, Germany)|February 23, 2023
One-Step Synthesis of White-Light-Emitting Carbon Dots for White LEDs with a High Color Rendering Index of 97Zishan Yan, Tong Chen, Lingpeng Yan, et al.Pageof 5