Ab initio molecular orbital investigation of the unimolecular decomposition of CH3SiH2+

被引:0
|
作者
机构
[1] Gordon, M.S.
[2] Pederson, L.A.
[3] Bakhtiar, R.
[4] Jacobson, D.B.
来源
Gordon, M.S. | 1600年 / 99期
关键词
641.1 Thermodynamics - 801.4 Physical Chemistry - 802.2 Chemical Reactions - 804.1 Organic Compounds - 921.6 Numerical Methods - 931.3 Atomic and Molecular Physics;
D O I
暂无
中图分类号
学科分类号
摘要
52
引用
收藏
相关论文
共 50 条
  • [21] Ab initio kinetics for the decomposition of monomethylhydrazine (CH3NHNH2)
    Zhang, Peng
    Klippenstein, Stephen J.
    Sun, Hongyan
    Law, Chung K.
    PROCEEDINGS OF THE COMBUSTION INSTITUTE, 2011, 33 : 425 - 432
  • [22] Infrared and Raman spectra, conformations, ab initio calculations and spectral assignments of 1,3-disilabutane (SiH3CH2SiH2CH3)
    Guirgis, Gamil A.
    Mazzone, Paul M.
    Pasko, Daniel N.
    Klaeboe, Peter
    Horn, Anne
    Nielsen, Claus J.
    JOURNAL OF RAMAN SPECTROSCOPY, 2007, 38 (09) : 1159 - 1173
  • [23] AN AB-INITIO MOLECULAR-ORBITAL STUDY OF THE UNIMOLECULAR DISSOCIATION REACTIONS OF DICHLOROETHYLENE AND TRICHLOROETHYLENE
    RIEHL, JF
    MUSAEV, DG
    MOROKUMA, K
    JOURNAL OF CHEMICAL PHYSICS, 1994, 101 (07): : 5942 - 5956
  • [24] SIH3CH3+F - A POTENTIAL REACTION SYSTEM FOR PREPARING UNIFORM SIC FILM PREDICTED BY USING AN AB-INITIO MOLECULAR-ORBITAL METHOD
    SATO, K
    YANO, DS
    IWABUCHI, S
    HIRANO, T
    KOINUMA, H
    JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS, 1994, 33 (9A): : 4801 - 4806
  • [25] Unimolecular decomposition pathways of dimethyl ether: An ab initio study
    Nash, JJ
    Francisco, JS
    JOURNAL OF PHYSICAL CHEMISTRY A, 1998, 102 (01): : 236 - 241
  • [26] Ab initio MO study of the unimolecular decomposition of the phenyl radical
    Madden, LK
    Moskaleva, LV
    Kristyan, S
    Lin, MC
    JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (36): : 6790 - 6797
  • [27] Ab initio molecular orbital theory - A tool for THz spectroscopic investigation
    Jones, I
    Rainsford, TJ
    Mickan, SP
    Abbott, D
    PHOTONICS: DESIGN, TECHNOLOGY, AND PACKAGING II, 2006, 6038
  • [28] Direct ab initio dynamics study of the unimolecular reaction of CH2FO
    Luo, Q
    Li, QS
    JOURNAL OF PHYSICAL CHEMISTRY A, 2004, 108 (23): : 5050 - 5056
  • [29] AN AB-INITIO MOLECULAR-ORBITAL STUDY OF THE CH3O2 AND CH3O2+ POTENTIAL-ENERGY SURFACES
    CHEUNG, YS
    LI, WK
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1995, 333 (1-2): : 135 - 145
  • [30] Dual level direct ab initio and density-functional theory dynamics study on the unimolecular decomposition of CH3OCH2 radical
    Li, QS
    Zhang, Y
    Zhang, SW
    JOURNAL OF PHYSICAL CHEMISTRY A, 2004, 108 (11): : 2014 - 2019