Ab initio study on isomerization reaction of the CH5N+2 cation

被引:0
|
作者
Fang, W.-H.
You, X.-Z.
机构
关键词
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
相关论文
共 50 条
  • [31] Ab initio study of the C2O+ cation
    Jutier, L.
    Leonard, C.
    MOLECULAR PHYSICS, 2007, 105 (09) : 1105 - 1114
  • [32] Density functional theory and ab initio study of CH3NC and HNC isomerization
    Jursic, BS
    CHEMICAL PHYSICS LETTERS, 1996, 256 (1-2) : 213 - 219
  • [33] REACTION-MECHANISM OF THE RADICAL ISOMERIZATION FROM CH3O TO CH2OH IN FROZEN METHANOL - AN AB-INITIO MO AND RRKM STUDY
    TACHIKAWA, H
    CHEMICAL PHYSICS LETTERS, 1993, 212 (1-2) : 27 - 31
  • [34] Ab Initio Study on the Reaction of La+ + CH4→La+-CH2 + H2
    Rong Shun ZHU
    Shu Shan DAIDepartment of Chemistry Yunnan University Kunming
    Chinese Chemical Letters, 1996, (11)
  • [35] Ab initio studies on the structures and isomerization of the carbenoids CH(2)LiX (X=F,Cl)
    Qiu, HY
    Deng, CH
    CHEMICAL PHYSICS LETTERS, 1996, 249 (3-4) : 279 - 283
  • [36] Ab initio simulation of a molecular switch on the base of an isomerization reaction
    Shumkin G.N.
    Popov A.M.
    Curioni A.
    Laino T.
    Mathematical Models and Computer Simulations, 2011, 3 (3) : 375 - 381
  • [37] Ab initio calculation for isomerization reaction kinetics of nitrobenzene isomers
    Gao, Zhongquan
    Yang, Meng
    Tang, Chenglong
    Yang, Feiyu
    Fan, Xiangshan
    Yang, Rui
    Huang, Zuohua
    CHEMICAL PHYSICS LETTERS, 2019, 715 : 244 - 251
  • [38] Is the CH2OH+O2 → CH2=O+HO2 reaction barrierless?: an ab initio study on the reaction mechanism
    Ramirez-Ramirez, Victor M.
    Serrano-Andres, Luis
    Nebot-Gil, Ignacio
    THEORETICAL CHEMISTRY ACCOUNTS, 2006, 116 (4-5) : 637 - 640
  • [39] CH3NO2 decomposition/isomerization mechanism and product branching ratios: An ab initio chemical kinetic study
    Zhu, R. S.
    Lin, M. C.
    CHEMICAL PHYSICS LETTERS, 2009, 478 (1-3) : 11 - 16
  • [40] Ab initio quasidiabatic states for the reaction N+CH->NC+H
    Thurwachter, R
    Halvick, P
    CHEMICAL PHYSICS, 1997, 221 (1-2) : 33 - 44