Ab initio adiabatic and quasidiabatic potential energy surfaces of lowest four electronic states of the H+ + O2 system

被引:0
|
作者
Department of Chemistry, Indian Institute of Technology Madras, Chennai 600 036, India [1 ]
机构
来源
J Chem Phys | / 16卷
关键词
Compendex;
D O I
164304
中图分类号
学科分类号
摘要
Electronic states
引用
收藏
相关论文
共 50 条
  • [41] Ab initio potential energy surfaces, bound states, and electronic spectrum of the Ar-SH complex
    Doyle, Richard J.
    Hirst, David M.
    Hutson, Jeremy M.
    JOURNAL OF CHEMICAL PHYSICS, 2006, 125 (18):
  • [42] Ab initio potential energy and dipole moment surfaces of the F-(H2O) complex
    Kamarchik, Eugene
    Toffoli, Daniele
    Christiansen, Ove
    Bowman, Joel M.
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2014, 119 : 59 - 62
  • [43] Global ab initio potential energy surfaces for the lowest three doublet states (1 2A′, 2 2A′, and 1 2A") of the BrH2 system
    Kurosaki, Y
    Takayanagi, T
    JOURNAL OF CHEMICAL PHYSICS, 2003, 119 (15): : 7838 - 7856
  • [44] A new singlet ab initio potential energy surface for studying vibrational relaxation in O2(ν)+O2 collisions
    Hernández-Lamoneda, R
    Hernández, MI
    Campos-Martínez, J
    CHEMICAL PHYSICS LETTERS, 2003, 368 (5-6) : 709 - 716
  • [45] 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
  • [46] Ab initio potential energy surfaces and vibrational configuration interaction calculations of (H2O)2 and (H2O)3
    Wang, Yimin
    Bastiaan, J. Braams
    Bowman, Joel M.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2008, 235
  • [47] AVOIDED INTERSECTION OF POTENTIAL-ENERGY SURFACES - (H+ + H2, H + H+/2) SYSTEM
    BAUSCHLI.CW
    ONEIL, SV
    PRESTON, RK
    SCHAEFER, HF
    BENDER, CF
    JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (03): : 1286 - 1292
  • [48] Ab initio study of the intermolecular potential energy surface for the ground electronic state of the O2–CO system and prediction of second virial coefficients
    Saeedeh Tashakor
    Mohammad R. Noorbala
    Mansoor Namazian
    Theoretical Chemistry Accounts, 2017, 136
  • [49] New ab initio potential energy surfaces for the F+H2 reaction
    Li, Guoliang
    Werner, Hans-Joachim
    Lique, Francois
    Alexander, Millard H.
    JOURNAL OF CHEMICAL PHYSICS, 2007, 127 (17):
  • [50] Ab initio study of the electronic spectrum of C2H2+.: II.: Stretching potential energy surfaces for low-lying doublet electronic states
    Peric, M
    Engels, B
    CHEMICAL PHYSICS, 1998, 238 (01) : 47 - 57