Ab initio study of He2H+ and Ne2H+: accurate structure and energetics

被引:0
|
作者
机构
来源
J Chem Phys | / 9卷 / 4413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
相关论文
共 50 条
  • [41] Ab initio comparative study of the structure and properties of H2-porphin and H2-phthalocyanine.: The electronic absorption spectra
    Cortina, H
    Senent, ML
    Smeyers, YG
    JOURNAL OF PHYSICAL CHEMISTRY A, 2003, 107 (42): : 8968 - 8974
  • [42] Accurate ab initio calculations on the rate constants of the hydrogen abstraction reaction C2H3+H2 → H+C2H4
    Li, QS
    Lü, RH
    Wang, CY
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2004, 668 : 35 - 39
  • [43] Ab initio test study of the N2...H2 and N2...He van der Waals dimers
    Salazar, MC
    Paz, JL
    Hernández, AJ
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1999, 464 (1-3): : 183 - 189
  • [44] AB-INITIO STUDY OF HYDROGEN-BONDED SYSTEMS - (H2NO...H2O)- AND H2NO...H2O
    KOLLER, J
    KODRIC, M
    AZMAN, A
    ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1973, A 28 (09): : 1533 - 1534
  • [45] Ab Initio Study of the Structure and Binding Energy of HOOCl-H2O Cluster
    Kim, Young-Mi
    Sung, Eun-Mo
    JOURNAL OF THE KOREAN CHEMICAL SOCIETY-DAEHAN HWAHAK HOE JEE, 2008, 52 (03): : 322 - 327
  • [46] Activation energies for permeation of He and H2 through silica membranes:: An ab initio calculation study
    Hacarlioglu, P.
    Lee, D.
    Gibbs, G. V.
    Oyamaa, S. T.
    JOURNAL OF MEMBRANE SCIENCE, 2008, 313 (1-2) : 277 - 283
  • [47] AB-INITIO STUDY OF THE LONG-RANGE INTERACTION BETWEEN HE+ AND H-2
    FALCETTA, MF
    SISKA, PE
    CHEMICAL PHYSICS LETTERS, 1993, 213 (5-6) : 531 - 536
  • [48] ELECTRONIC AND GEOMETRICAL STRUCTURE OF H2B-O-BH2 - AN AB-INITIO STUDY
    GATTI, F
    BERTHEGAUJAC, N
    DEMACHY, I
    VOLATRON, F
    CHEMICAL PHYSICS LETTERS, 1995, 232 (5-6) : 503 - 508
  • [49] Searching for the ylide structure. An ab initio study of the H2O...CCl2 complex
    Pliego, JR
    DeAlmeida, WB
    CHEMICAL PHYSICS LETTERS, 1996, 249 (1-2) : 136 - 140
  • [50] Ab initio study of (H2O)1,2•HCl:: accurate energetic and frequency shift of HCl
    Alikhani, ME
    Silvi, B
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2003, 5 (12) : 2494 - 2498