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Works (5)

Research on the reaction mechanism of 2,4,6‐trinitrotoluene resource utilization I: Formation of 2,4,6‐trinitrobenzoic acid in acetic acid with N,N′,N″‐trihydroxyisocyanuric acid catalyst

Journal of Physical Organic Chemistry
2023-11 | Journal article
Contributors: Guan Zhang; Jin Li; Zongkuan Liu
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Heuristic-Based Alkaline Hydrolysis Mechanism of Nitrate Ester (Nitrocellulose Monomer) and Nitroamine (Hexogen) Compounds: Electrostatic Attraction Effect of the Nitro Group

The Journal of Physical Chemistry A
2023-02-23 | Journal article
Contributors: Guan Zhang; Xinxin Liang; Jin Li; Zongkuan Liu
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Automated reaction mechanisms and kinetics with the nudged elastic band method‐based AMK_Mountain and its description of the preliminary alkaline hydrolysis of nitrocellulose monomer

Journal of Computational Chemistry
2022-08-15 | Journal article
Contributors: Guan Zhang; Jin Li; Xinxin Liang; Zongkuan Liu
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Automated reaction mechanisms and kinetics based transition state search process AMK-gau_xtb and its application to the substitution reaction of the nitroso group in 2,4,6-trinitrotoluene by hydroxide anion in the aqueous phase

Physical Chemistry Chemical Physics
2021 | Journal article
Contributors: Guan Zhang; Jin Li; Bo Long; Zongkuan Liu
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Multiple Objective NSGA-II-Based Optimization Program and Its Application in Reactive Force Field for 2,4,6-Trinitrotoluene Diffusion in the Aqueous Phase

The Journal of Physical Chemistry C
2019-08-15 | Journal article
Contributors: Guan Zhang; Jin Li; Zongkuan Liu
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