Ab initio calculation of the rotational spectrum of CH5+ and CD5+

被引:0
|
作者
Natl Research Council of Canada, Ottawa, Canada [1 ]
机构
来源
J Phys Chem A | / 36卷 / 6746-6752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
  • [1] Ab initio calculation of the rotational spectrum of CH5+ and CD5+
    East, ALL
    Kolbuszewski, M
    Bunker, PR
    JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (36): : 6746 - 6752
  • [2] Understanding hydrogen scrambling and infrared spectrum of bare CH5+ based on ab initio simulations
    Kumar, P
    Marx, D
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2006, 8 (05) : 573 - 586
  • [3] CH5+:: The infrared spectrum observed
    White, ET
    Tang, J
    Oka, T
    SCIENCE, 1999, 284 (5411) : 135 - 137
  • [4] A Parallel Algorithm for Computing the Spectrum of CH5+
    Wang, Xiao-Gang
    Carrington, Tucker, Jr.
    HIGH PERFORMANCE COMPUTING SYSTEMS AND APPLICATIONS, 2010, 5976 : 109 - 116
  • [5] Understanding the infrared spectrum of bare CH5+
    Asvany, O
    Kumar, P
    Redlich, B
    Hegemann, I
    Schlemmer, S
    Marx, D
    SCIENCE, 2005, 309 (5738) : 1219 - 1222
  • [6] A theoretical study of the millimeterwave spectrum of CH5+
    Bunker, PR
    Ostojic, B
    Yurchenko, S
    JOURNAL OF MOLECULAR STRUCTURE, 2004, 695 : 253 - 261
  • [7] Ab initio diffusion Monte Carlo calculations of the quantum behavior of CH5+ in full dimensionality
    McCoy, AB
    Braams, BJ
    Brown, A
    Huang, XC
    Jin, Z
    Bowman, JM
    JOURNAL OF PHYSICAL CHEMISTRY A, 2004, 108 (23): : 4991 - 4994
  • [8] Ab Initio Molecular Dynamics Study on the Electron Capture Processes of Protonated Methane (CH5+)
    Tachikawa, Hiroto
    Orr-Ewing, Andrew J.
    JOURNAL OF PHYSICAL CHEMISTRY A, 2008, 112 (46): : 11575 - 11581
  • [9] Quantum deconstruction of the infrared spectrum of CH5+
    Huang, XC
    McCoy, AB
    Bowman, JM
    Johnson, LM
    Savage, C
    Dong, F
    Nesbitt, DJ
    SCIENCE, 2006, 311 (5757) : 60 - 63
  • [10] Classical and quasiclassical spectral analysis of CH5+ using an ab initio potential energy surface
    Brown, A
    Braams, BJ
    Christoffel, K
    Jin, Z
    Bowman, JM
    JOURNAL OF CHEMICAL PHYSICS, 2003, 119 (17): : 8790 - 8793