成果/Result
- Reactions of Ethynyloxy Radical with Hydroperoxyl Radical: Bridging Theoretical Reaction Dynamics and Chemical Modeling of Combustion被引量:0收藏
- 作者:Guo, Junjiang Tan, Ningxin Chen, Lijun Tang, Shiyun Tang, Anjiang
- 机构:Guizhou Inst Technol;Guizhou Inst Technol;Sichuan Univ
- 来源:CHEMPHYSCHEM 2023
- 关键词:computational chemistry HCCO+HO2 reaction density functional theory ketene model and kinetic modelling dynamics and thermodynamics
- Benchmarking quantum chemistry compound methods for the temperature-dependent thermochemical data of SixHy and SixFy series被引量:0收藏
- 作者:Guo, Junjiang Tang, Shiyun Chen, Lijun Wei, Deju Tang, Anjiang
- 机构: School of Chemical Engineering; Guizhou Provincial Key Laboratory of Energy Chemistry
- 来源:International Journal of Quantum Chemistry 2023
- 关键词:Chemical analysis - Electric circuit breakers - Enthalpy - Quantum chemistry - Silicon compounds