APM OpenIR

Browse/Search Results:  1-2 of 2 Help

Filters    
Selected(0)Clear Items/Page:    Sort:
Hydrogen Abstraction Reactions of OH Radicals with CH3CH2CH2Cl and CH3CHClCH3: A Mechanistic and Kinetic Study 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2012, 卷号: 33, 期号: 1, 页码: 66-75
Authors:  Wang, Li;  Li, Yanjie;  He, Hongqing;  Zhang, Jinglai
Adobe PDF(830Kb)  |  Favorite  |  View/Download:58/0  |  Submit date:2015/06/25
Ch3ch2ch2cl  Ch3chclch3  Rate Constants  Direct Dynamics Method  Four-parameter Expression  
Theoretical study of the reactions CF3CH2OCHF2+OH/Cl and its product radicals and parent ether (CH3CH2OCH3) with OH 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2008, 卷号: 29, 期号: 4, 页码: 550-561
Authors:  Yang, Lei;  Liu, Jing-Yao;  Wang, Li;  He, Hong-Qing;  Wang, Ying;  Li, Ze-Sheng
Adobe PDF(601Kb)  |  Favorite  |  View/Download:58/0  |  Submit date:2015/10/13
Density Functional Theory  Direct Dynamics  Rate Constant  Variational Transition-state Theory