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The Journal of Physical Chemistry. B|July 29, 2015
Dynamic Responses and Initial Decomposition under Shock Loading: A DFTB Calculation Combined with MSST Method for β-HMX with Molecular VacancyZheng-Hua He, Jun Chen, Guang-Fu Ji, et al.
Physical Chemistry Chemical Physics : PCCP|June 15, 2018
Towards the low-sensitive and high-energetic co-crystal explosive CL-20/TNT: from intermolecular interactions to structures and propertiesXiu-Qing Zhang, Jiao-Nan Yuan, Gurudeeban Selvaraj, et al.
Nanoscale|July 5, 2023
Modifying a D-A-π-A-D HTM system for higher hole mobility by the <i>meta</i>-substitution strategy to weaken the electron-donating ability of the donor unit: a DFT studyKe-Li Wang, Qun-Gui Wang, Cui-E Hu, et al.
The Journal of Physical Chemistry. B|October 20, 2012
Initial decomposition of the condensed-phase β-HMX under shock waves: molecular dynamics simulationsNi-Na Ge, Yong-Kai Wei, Guang-Fu Ji, et al.
The Journal of Physical Chemistry. A|December 24, 2009
First-principles study of high-pressure behavior of solid beta-HMXHong-Ling Cui, Guang-Fu Ji, Xiang-Rong Chen, et al.
Journal of Molecular Modeling|October 12, 2012
Molecular dynamics study on the correlation between structure and sensitivity for defective RDX crystals and their PBXsJi Jun Xiao, Song Yuan Li, Jun Chen, et al.
The Journal of Physical Chemistry. B|June 26, 2014
Anisotropic responses and initial decomposition of condensed-phase β-HMX under shock loadings via molecular dynamics simulations in conjunction with multiscale shock techniqueNi-Na Ge, Yong-Kai Wei, Zhen-Fei Song, et al.
Interdisciplinary Sciences, Computational Life Sciences|December 29, 2017
Detoxification of aflatoxins on prospective approach: effect on structural, mechanical, and optical properties under pressuresYong-Kai Wei, Xiao-Miao Zhao, Meng-Meng Li, et al.
The Journal of Physical Chemistry. B|October 19, 2020
Quasi-Static Two-Dimensional Infrared Spectra of the Carboxyhemoglobin Subsystem under Electric Fields: A Theoretical StudyHai Chao Ren, Lin Xiang Ji, Tu Nan Chen, et al.
ACS Omega|February 7, 2022
Revealing the Relationship between Electric Fields and the Conformation of Oxytocin Using Quasi-Static Amide-I Two-Dimensional Infrared SpectraHai-Chao Ren, Lin-Xiang Ji, Tu-Nan Chen, et al.
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