Ab initio study of the [C2H5O-] potential energy surface and the fragmentation pathways of the ethoxide anion

被引:0
|
作者
Chiu, S.-W.
Lau, Kai-Chung
Li, Wai-Kee
机构
来源
关键词
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
页码:6003 / 6008
相关论文
共 50 条
  • [41] Globally accurate ab initio based potential energy surface of H2O~+(X~4A'')
    宋玉志
    张媛
    张路路
    高守宝
    孟庆田
    Chinese Physics B, 2015, (06) : 263 - 270
  • [42] Accurate ab initio potential energy surface and spectral calculation for the HOCO+ + H2O reaction
    Liu, Na
    Liu, Zhao
    Liu, Ying
    Qin, Shengli
    JOURNAL OF MOLECULAR STRUCTURE, 2015, 1100 : 348 - 353
  • [43] Ab initio study of the O3-N2 complex: Potential energy surface and rovibrational states
    Kalugina, Yulia N.
    Egorov, Oleg
    van der Avoird, Ad
    JOURNAL OF CHEMICAL PHYSICS, 2021, 155 (05):
  • [44] A global ab initio potential energy surface for F+H2→HF+H
    Xu, Chuan-xiu
    Xie, Dai-qian
    Zhang, Dong-hui
    CHINESE JOURNAL OF CHEMICAL PHYSICS, 2006, 19 (02) : 96 - 98
  • [45] An ab initio potential energy surface of the He+H2+ → HeH++H reaction
    Xu, Wenwu
    Liu, Xinguo
    Luan, Shixia
    Zhang, Qinggang
    Zhang, Peiyu
    CHEMICAL PHYSICS LETTERS, 2008, 464 (1-3) : 92 - 96
  • [46] Ab initio direct molecular dynamics study of the fragmentation of F(H2O) complex generated by photodetachment of F-(H2O) anion complex
    Ishikawa, Y
    Nakajima, T
    Yanai, T
    Hirao, K
    CHEMICAL PHYSICS LETTERS, 2002, 363 (5-6) : 458 - 464
  • [47] Kinetics theoretical study of the O(3P) + C2H6 reaction on an ab initio-based global potential energy surface
    M. Garcia-Chamorro
    J. C. Corchado
    J. Espinosa-Garcia
    Theoretical Chemistry Accounts, 2020, 139
  • [48] Kinetics theoretical study of the O(3P) + C2H6 reaction on an ab initio-based global potential energy surface
    Garcia-Chamorro, M.
    Corchado, J. C.
    Espinosa-Garcia, J.
    THEORETICAL CHEMISTRY ACCOUNTS, 2020, 139 (12)
  • [49] Ab initio Based DMBE Potential Energy Surface for the Ground Electronic State of the C2H Molecule
    Joseph, S.
    Varandas, A. J. C.
    JOURNAL OF PHYSICAL CHEMISTRY A, 2010, 114 (07): : 2655 - 2664
  • [50] Ab Initio-Based Global Potential Energy Surface and Reaction Dynamics for H2S + C
    Masoumpour, Marziyeh Sadat
    Daryanavard, Marzieh
    JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 124 (39): : 7901 - 7910