Dynamically biased RRKM calculations of activated gas-surface reaction dynamics: Application to the dissociative chemisorption of CH4 on Pt(111) with rotation as a spectator

被引:0
|
作者
Donald, Scott B. [1 ]
Cushing, Greg [1 ]
Navin, Jason [1 ]
Harrison, Ian [1 ]
机构
[1] Univ Virginia, Dept Chem, Charlottesville, VA USA
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
228-PHYS
引用
收藏
页数:1
相关论文
共 7 条
  • [1] Dynamically biased RRKM model of activated gas-surface reactivity: vibrational efficacy and rotation as a spectator in the dissociative chemisorption of CH4 on Pt(111)
    Donald, Scott B.
    Harrison, Ian
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2012, 14 (05) : 1784 - 1795
  • [2] Communication: Angle-resolved thermal dissociative sticking of CH4 on Pt(111): Further indication that rotation is a spectator to the gas-surface reaction dynamics
    Navin, J. K.
    Donald, S. B.
    Tinney, D. G.
    Cushing, G. W.
    Harrison, I.
    JOURNAL OF CHEMICAL PHYSICS, 2012, 136 (06):
  • [3] Microcanonical transition state theory for activated gas-surface reaction dynamics:: Application to H2/Cu(111) with rotation as a spectator
    Abbott, Heather L.
    Harrison, Ian
    JOURNAL OF PHYSICAL CHEMISTRY A, 2007, 111 (39): : 9871 - 9883
  • [4] DYNAMICS OF THE ACTIVATED DISSOCIATIVE CHEMISORPTION OF CH4 AND THE COLLISION-INDUCED DISSOCIATION OF PHYSISORBED CH4 ON NI(111)
    YANG, QY
    BECKERLE, JD
    JOHNSON, AD
    LEE, MB
    CEYER, ST
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1987, 194 : 154 - PHYS
  • [5] THE ACTIVATED CHEMISORPTION OF METHANE ON NICKEL Ⅱ.DISSOCIATION DYNAMICS OF CH4 ON Ni(111)SURFACE
    YU Hua-Gen
    CHENG Ji-Yuan Chengdu Institute of Organic Chemistry Academia Sinica Chengdu
    Journal of Natural Gas Chemistry , 1993, (02) : 129 - 135
  • [6] Dissociative chemisorption of CH4 on a cesiated Pt(111) surface studied by supersonic molecular beam scattering techniques
    Kondo, T
    Sasaki, T
    Yamamoto, S
    JOURNAL OF CHEMICAL PHYSICS, 2002, 116 (17): : 7673 - 7684
  • [7] Ab Initio Molecular Dynamics Calculations versus Quantum-State-Resolved Experiments on CHD3 + Pt(111): New Insights into a Prototypical Gas-Surface Reaction
    Nattino, Francesco
    Ueta, Hirokazu
    Chadwick, Helen
    van Reijzen, Maarten E.
    Beck, Rainer D.
    Jackson, Bret
    van Hemert, Marc C.
    Kroes, Geert-Jan
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2014, 5 (08): : 1294 - 1299