Rate rules for hydrogen abstraction reaction kinetics of polycyclic aromatic hydrocarbons and vinyl radical von Cao, Xiao-Mei, Li, Ze-Rong, Wang, Jing-Bo, Li, Xiang-Yuan

Volltext

Pressure-Dependent Rate Rules for Intramolecular H‑Migration Reactions of Hydroperoxyalkylperoxy Radicals in Low Temperature von Yao, Qian, Sun, Xiao-Hui, Li, Ze-Rong, Chen, Fang-Fang, Li, Xiang-Yuan

Volltext

Pressure-Dependent Rate Rules for the Intramolecular H‑Shift Reactions of Hydroperoxy-Alkenyl-Peroxy Radicals in Low Temperature von Sun, Xiao-Hui, Zong, Wen-Gang, Li, Ze-Rong, Li, Xiang-Yuan

Volltext

Pyrolysis of RDX and Its Derivatives via Reactive Molecular Dynamics Simulations von PENG, Li-Juan, YAO, Qian, WANG, Jing-Bo, LI, Ze-Rong, ZHU, Quan, LI, Xiang-Yuan

Volltext

Kinetic Analysis for Reaction of Cyclopentadiene with Hydroperoxyl Radical under Low- and Medium-Temperature Combustion von Xu, Shi-Min, Sun, Xiao-Hui, Zong, Wen-Gang, Li, Ze-Rong, Li, Xiang-Yuan

Volltext

Accurate Calculation of the Energy Barriers and Rate Constants of Hydrogen Abstraction from Alkanes by Hydroperoxyl Radical von YAO, Qian, PENG, Li-Juan, LI, Ze-Rong, LI, Xiang-Yuan

Volltext

Rate rules for hydrogen abstraction reaction kinetics of alkenes from allylic sites by HO2 radical von Cao, Xiao-Mei, Li, Ze-Rong, Wang, Jing-Bo, Li, Xiang-Yuan

Volltext

Theoretical Kinetic Study of Thermal Decomposition of Cyclohexane von Gong, Chun-Ming, Li, Ze-Rong, Li, Xiang-Yuan

Volltext

Calculation of Rate Constants for Intramolecular Hydrogen Migration Reactions of Alkylperoxy Radicals von Shang-Jun, LI, Ning-Xin, TAN, Qian, YAO, Ze-Rong, LI, Xiang-Yuan, LI

Volltext

Accurate prediction of thermodynamic properties of alkyl peroxides by combining density functional theory calculation with least-square calibration von Liu, Cun-Xi, Li, Ze-Rong, Zhou, Chong-Wen, Li, Xiang-Yuan

Volltext

Potential Energy Surface for Large Barrierless Reaction Systems: Application to the Kinetic Calculations of the Dissociation of Alkanes and the Reverse Recombination Reactions von Yao, Qian, Cao, Xiao-Mei, Zong, Wen-Gang, Sun, Xiao-Hui, Li, Ze-Rong, Li, Xiang-Yuan

Volltext

Accurate prediction of enthalpies of formation for a large set of organic compounds von Liu, Cun-Xi, Wang, Hai-Xia, Li, Ze-Rong, Zhou, Chong-Wen, Rao, Han-Bing, Li, Xiang-Yuan

Volltext

Calculation of the rate constants for concerted elimination reaction class of hydroperoxyl-alkyl-peroxyl radicals von Sun, Xiao-Hui, Yao, Qian, Li, Ze-Rong, Wang, Jing-Bo, Li, Xiang-Yuan

Volltext

Kinetics and Mechanism for Formation of Enols in Reaction of Hydroxide Radical with Propene von Zhou, Chong-Wen, Li, Ze-Rong, Li, Xiang-Yuan

Volltext

Reaction of ketenyl radical with hydroxyl radical over C2H2O2 potential energy surface: A theoretical study von Xiong, Shao-Zhuan, Yao, Qian, Li, Ze-Rong, Li, Xiang-Yuan

Volltext

Interpretation and Application of Reaction Class Transition State Theory for Accurate Calculation of Thermokinetic Parameters Using Isodesmic Reaction Method von Wang, Bi-Yao, Li, Ze-Rong, Tan, Ning-Xin, Yao, Qian, Li, Xiang-Yuan

Volltext

Kinetic Calculation and Modeling Study of 1, 3-Butadiene Pyrolysis von DU, Niao-Feng, NING, Hong-Bo, LI, Ze-Rong, ZHANG, Qi-Yi, LI, Xiang-Yuan

Volltext

Accurate Calculation of the Reaction Barriers and Rate Constants of the Pyrolysis of Alkyl Radicals in the β Position Using the Isodesmic Reaction Method von Bi-Yao, WANG, Ning-Xin, TAN, Qian, YAO, Ze-Rong, LI, Xiang-Yuan, LI

Volltext

Theoretical and kinetic study of reaction C2H + C3H6 on the C5H7 potential energy surface von Gong, Chun-Ming, Ning, Hong-Bo, Li, Ze-Rong, Li, Xiang-Yuan

Volltext

Theoretical Investigations on Removal Reactions of Ethenol by H Atom von Rao, Han-Bing, Zeng, Xian-Yin, He, Hua, Li, Ze-Rong

Volltext