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CORC

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Towards a predictive kinetic model of 3-ethyltoluene: Evidence concerning fuel-specific intermediates in the flow reactor pyrolysis with insights into model implications 期刊论文
PROCEEDINGS OF THE COMBUSTION INSTITUTE, 1, 2023, 卷号: 39, 页码: 179-188
作者:  Wang, Qianpeng;  Yang, Mo;  Wang, Juan;  Yang, Jiuzhong;  Zhao, Long
收藏  |  浏览/下载：7/0  |  提交时间：2023/07/17
Metric-Based Assessment Method for MS-T Formalism with Small Subsets of Torsional Conformers 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 44, 2022, 卷号: 126, 页码: 8305-8314
作者:  Chi, Yicheng;  Meng, Qinghui;  He, Chengming;  Zhang, Peng
收藏  |  浏览/下载：8/0  |  提交时间：2023/02/13
Investigation of Chlorine-initiated Oxidation Reactions of Nopinone by Vacuum Ultraviolet Photoionization Mass Spectrometry 期刊论文
CHINESE JOURNAL OF ANALYTICAL CHEMISTRY, 2022, 卷号: 50
作者:  Hu Rong-Rong;  Ma Zi-Ji;  Yue Hao;  Lin Xiao-Xiao;  Wen Zuo-Ying
收藏  |  浏览/下载：13/0  |  提交时间：2022/12/23
Atomic insights into the thermal runaway process of hydrogen peroxide and 1,3,5-trimethybenzene mixture: Combining ReaxFF MD and DFT methods 期刊论文
PROCESS SAFETY AND ENVIRONMENTAL PROTECTION, 2021, 卷号: 147, 页码: 578-588
作者:  Qian, Yanan;  Xu, Wei;  Zhan, Jin-Hui;  Jia, Xuewu;  Zhang, Fan
收藏  |  浏览/下载：16/0  |  提交时间：2021/08/31
Hydrogen abstraction/addition reactions in soot surface growth 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2021, 卷号: 23, 期号: 4, 页码: 3071-3086
作者:  Chu, Qingzhao;  Shi, Baolu;  Wang, Hongyu;  Chen, Dongping;  Liao LJ(廖丽涓)
收藏  |  浏览/下载：13/0  |  提交时间：2021/04/07
Resolving the Mechanism Complexity of Oxidative Dehydrogenation of Hydrocarbons on Nanocarbon by Microkinetic Modeling 期刊论文
ACS CATALYSIS, 2020, 卷号: 10, 期号: 23, 页码: 14006-14014
作者:  Lian, Zan;  Si, Chaowei;  Jan, Faheem;  Yang, Min;  Li, Bo
收藏  |  浏览/下载：90/0  |  提交时间：2021/03/15
Biotransformation Mechanism of Pesticides by Cytochrome P450: A DFT Study on Dieldrin 期刊论文
CHEMICAL RESEARCH IN TOXICOLOGY, 2020, 卷号: 33, 期号: 6, 页码: 1442-1448
作者:  Chai, Lihong;  Ji, Shujing;  Zhang, Shubin;  Yu, Haiying;  Zhao, Meirong
收藏  |  浏览/下载：24/0  |  提交时间：2020/08/07
Thermal rate coefficients and kinetic isotope effects of the reaction HO + H2O -> H2O + OH 期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2019, 卷号: 138, 期号: 9, 页码: 7
作者:  Zhu, Yongfa;  Lu, Yunpeng;  Song, Hongwei
收藏  |  浏览/下载：51/0  |  提交时间：2019/12/06
Catalytic effect of (H2O)(n) (n=1-3) clusters on the HO2 + SO2 HOSO + O-3(2) reaction under tropospheric conditions 期刊论文
RSC ADVANCES, 2019, 卷号: 9, 期号: 28, 页码: 16195-16207
作者:  Wang, Rui;  Yao, Qiuyue;  Wen, Mingjie;  Tian, Shaobo;  Wang, Yan
收藏  |  浏览/下载：10/0  |  提交时间：2020/06/05
Chemical Insight on Decreased Sensitivity of CL-20/TNT Cocrystal Revealed by ReaxFF MD Simulations 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2019, 卷号: 59, 期号: 5, 页码: 2079-2092
作者:  Ren, Chunxing;  Li, Xiaoxia;  Guo, Li
收藏  |  浏览/下载：45/0  |  提交时间：2019/09/03

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