Guan Zhang

Publication Activity (10 Years)

Years Active: 2021-2023
Publications (10 Years): 4

Top Topics

Molecularly Imprinted

Molecular Dynamics Simulations

Electron Transfer

Top Venues

The journal of physical chemistry. A

Physical chemistry chemical physics : PCCP

Journal of computational chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Guan Zhang, Xinxin Liang, Jin Li, Zongkuan Liu
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)
Guan Zhang, Xinxin Liang, Jin Li, Zongkuan Liu
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 127 (7) (2023)
Guan Zhang, Jin Li, Xinxin Liang, Zongkuan Liu
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 43 (22) (2022)
Guan Zhang, Jin Li, Bo Long, Zongkuan Liu
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 : PCCP 23 (41) (2021)