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：
Journal of Physical Chemistry A | / 103卷 / 30期
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
  • [21] Ab initio study of the potential energy surfaces for the reaction C+CH→C2+H
    Boggio-Pasqua, M
    Halvick, P
    Rayez, MT
    Rayez, JC
    Robbe, JM
    JOURNAL OF PHYSICAL CHEMISTRY A, 1998, 102 (11): : 2009 - 2015
  • [22] Ab initio potential energy surface and predicted rotational spectra for the Ne-H2O complex
    Sun, Xueli
    Hu, Yun
    Zhu, Hua
    JOURNAL OF CHEMICAL PHYSICS, 2013, 138 (20):
  • [23] Ab initio potential energy surface and second virial coefficient for He-H2O complex
    Patkowski, K
    Korona, T
    Moszynski, R
    Jeziorski, B
    Szalewicz, K
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2002, 591 : 231 - 243
  • [24] Dynamics of the HCl + C2H5 Multichannel Reaction on a Full-Dimensional Ab Initio Potential Energy Surface
    Horvath, Kitti
    Tajti, Viktor
    Papp, Dora
    Czako, Gabor
    JOURNAL OF PHYSICAL CHEMISTRY A, 2024, 128 (22): : 4474 - 4482
  • [25] Interaction of C2H with molecular hydrogen: Ab initio potential energy surface and scattering calculations
    Dagdigian, Paul J.
    JOURNAL OF CHEMICAL PHYSICS, 2018, 148 (02):
  • [26] ON THE C2H2I+ POTENTIAL-ENERGY HYPERSURFACE - AN AB-INITIO STUDY
    CAMPOS, PJ
    RODRIGUEZ, MA
    JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1995, (02) : 143 - 144
  • [27] Ab initio potential energy surfaces of the ion-molecule reaction:: C2H2+O+
    Fukuzawa, K
    Matsushita, T
    Morokuma, K
    JOURNAL OF CHEMICAL PHYSICS, 2004, 121 (07): : 3117 - 3129
  • [28] A new ab initio potential energy surface for the Ne-H2 interaction
    Lique, Francois
    CHEMICAL PHYSICS LETTERS, 2009, 471 (1-3) : 54 - 58
  • [29] Ab initio potential energy surface and rovibrational energies of H2F+
    Gutle, C.
    Coudert, L. H.
    JOURNAL OF MOLECULAR SPECTROSCOPY, 2012, 273 : 44 - 49
  • [30] High accuracy ab initio potential energy surface for the H2O-H van der Waals dimer
    McCarver, Gavin A.
    Hinde, Robert J.
    JOURNAL OF CHEMICAL PHYSICS, 2021, 155 (11):
12345