Theoretical studies of some bimolecular reactions during the decomposition of CH3NO2: reactions between NO2 and nine intermediates-Reference-Cited by-同舟云学术

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Theoretical studies of some bimolecular reactions during the decomposition of CH3NO2: reactions between NO2 and nine intermediates

Published:2017-02 Issue:2 Volume:23 Page:
ISSN:1610-2940
Container-title:Journal of Molecular Modeling
language:en
Short-container-title:J Mol Model

Author:

Zhang Ji-Dong,Zhang Li-Li,Cheng Xin-Lu

Funder

National Natural Science Foundation of China

Science and Technology Innovation Team Construction Project of Xinjiang Uygur Autonomous Region of China

Publisher

Springer Science and Business Media LLC

Subject

Computational Theory and Mathematics,Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Computer Science Applications,Catalysis

Link

http://link.springer.com/content/pdf/10.1007/s00894-017-3231-1.pdf

Reference23 articles.

1. Guo F, Cheng XL, Zhang H (2012) Reactive molecular dynamics simulation of solid nitromethane impact on (010) surfaces induced and nonimpact thermal decomposition. J Phys Chem A 116:3514–3520

2. Guo F, Zhang H, Cheng XL (2010) Molecular dynamic simulations of solid nitromethane under high pressures. J Theor Comput Chem 9:315–325

3. Hu WF, He TJ, Chen DM, Liu FC (2002) Theoretical study of the CH3NO2 unimolecular decomposition potential energy surface. J Phys Chem A 106:7294–7303

4. Rom N, Zybin SV, van Duin ACT, Goddard WA III, Zeiri Y, Katz G, Kosloff R (2011) Density-dependent liquid nitromethane decomposition: molecular dynamics simulations based on ReaxFF. J Phys Chem A 115:10181–10202

5. Citroni M, Datchi F, Bini R, Vaira MD, Pruzan P (2008) Crystal structure of nitromethane up to the reaction threshold pressure. J Phys Chem B 112:1095–1103

Cited by 2 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Theoretical study on autocatalytic reaction in thermal decomposition of nitromethane;Chemical Physics Letters;2022-04

2. Spatial distribution of spectrally emitting species in a nitromethane–air diffusion flame and comparison with kinetic models;Combustion and Flame;2020-03

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