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A theoretical investigation of NO3-initiated oxidation of toluene 期刊论文
Computational and Theoretical Chemistry, 2014, 期号: 1037, 页码: 63-69
作者:  Mingqiang Huang;  Yingmin Liao;  Zhenya Wang;  Liqing Hao;  Weijun Zhang
Adobe PDF(1613Kb)  |  收藏  |  浏览/下载：111/54  |  提交时间：2015/11/16
Theoretical studies on the pyrolysis of thiocarbonates 期刊论文
Computational and Theoretical Chemistry, 2014, 卷号: 1030, 期号: 无, 页码: 67-73
作者:  Ping Wu;  Xiaoping Chen;  Jiaxing Li;  Yongshun Huang
Adobe PDF(457Kb)  |  收藏  |  浏览/下载：285/266  |  提交时间：2016/05/25
Theoretical studies on the pyrolysis of (Thion)carbonates 期刊论文
Journal of Theoretical and Computational Chemistry, Journal of Theoretical and Computational Chemistry, 2014, 2014, 卷号: 13, 13, 期号: 6, 页码: 1-14, 1-14
作者:  Ping Wu;  Jiaxing Li
Adobe PDF(476Kb)  |  收藏  |  浏览/下载：1427/1350  |  提交时间：2016/05/25
REGIOSELECTIVITY INVESTIGATION FOR THE PYROLYSIS OF XANTHATES_ A COMPUTATIONAL STUDY 期刊论文
Journal of Theoretical and Computational Chemistry, 2013
作者:  PING WU;  JOHNNY TRUONG;  YONGSHUN HUANG;  JIAXING LI
Adobe PDF(397Kb)  |  收藏  |  浏览/下载：126/84  |  提交时间：2014/11/12
An ab initio study of cluster-assembled hydrogenated silicon nanotubes 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2012, 卷号: 982
作者:  Guo, LJ;  Zheng, XH;  Liu, CS;  Zhou, WH;  Zeng, Z
Adobe PDF(1975Kb)  |  收藏  |  浏览/下载：447/195  |  提交时间：2012/07/19
Determination of thermal intermediate state ensemble of box 5 with restrained molecular dynamics simulations 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2011, 卷号: 978
作者:  Zhao, LL;  Liu, ZJ;  Cao, ZX;  Liu, HY;  Wang, JH
Adobe PDF(942Kb)  |  收藏  |  浏览/下载：733/144  |  提交时间：2012/07/16
Theoretical studies on the gas phase reaction mechanisms and kinetics of glyoxal with HO2 with water and without water 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2011, 卷号: 964, 期号: 1
作者:  Long, B;  Zhang, WJ;  Tan, XF;  Long, ZW;  Wang, YB;  Ren, DS
Adobe PDF(1401Kb)  |  收藏  |  浏览/下载：285/80  |  提交时间：2012/07/11
Theoretical investigation on the mechanism and kinetics of OH radical with m-xylene 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2011, 卷号: 965, 期号: 1
作者:  Huang, MQ;  Wang, ZY;  Hao, LQ;  Zhang, WJ
Adobe PDF(806Kb)  |  收藏  |  浏览/下载：313/114  |  提交时间：2012/07/11