Ab initio study for the hydrogen abstraction reactions on toluene and tetralin

被引：0
|
作者：
Beste, Ariana
Harrison, Robert J.
Britt, Phillip F.
Buchanan, A. C., III
机构：
[1] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA
[2] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN USA
[3] Univ Tennessee, Knoxville, TN 37996 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2006年 / 231卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
130-FUEL
引用
下载
收藏
页数：2
相关论文
共 50 条
  • [1] Ab initio study of hydrogen abstraction reactions on toluene and tetralin
    Beste, Ariana
    Buchanan, A. C., III
    Britt, Phillip F.
    Hathorn, Bryan C.
    Harrison, Robert J.
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2008, 851 (1-3): : 232 - 241
  • [2] Ab initio study of hydrogen abstraction reactions
    Basch, H
    Hoz, S
    JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (24): : 4416 - 4431
  • [3] Ab initio study on the hydrogen abstraction reactions on substituted phenethyl phenyl ethers
    Beste, Ariana
    Buchanan, A. C., III
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2009, 238
  • [4] The CH3OH+Cl Hydrogen Abstraction Reactions: An ab initio Study
    Bo Zhen CHEN
    Chinese Chemical Letters, 2001, (08) : 727 - 730
  • [5] The CH3OH+Cl hydrogen abstraction reactions:: An ab initio study
    Chen, BZ
    Huang, MB
    CHINESE CHEMICAL LETTERS, 2001, 12 (08) : 727 - 730
  • [6] Ab initio kinetics of hydrogen abstraction reactions of iso-propylamine
    Bao, Yi
    Zhang, Sen
    Xu, Yunfei
    Zhu, Yinbo
    Liu, Xiaoyi
    Shi, Jinchun
    FUEL, 2024, 368
  • [7] Direct ab initio dynamics studies of the hydrogen abstraction reactions of hydrogen atom with fluoromethanes
    Maity, DK
    Duncan, WT
    Truong, TN
    JOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103 (13): : 2152 - 2159
  • [8] Ab initio study of the kinetics of hydrogen abstraction reactions occurring in the pyrolysis of phenethyl phenyl ether
    Beste, Ariana
    Buchanan, A. C., III
    Hathorn, Bryan C.
    Harrison, Robert J.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2007, 233
  • [9] Ab initio quantum chemical studies of hydrogen abstraction reactions of hydrocarbons.
    Ewing, DW
    Manka, MJ
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2004, 227 : U1100 - U1100
  • [10] Ab initio group contribution method for activation energies of hydrogen abstraction reactions
    Saeys, M
    Reyniers, MF
    Van Speybroeck, V
    Waroquier, M
    Marin, GB
    CHEMPHYSCHEM, 2006, 7 (01) : 188 - 199
12345