array(2) { ["lab"]=> string(4) "1074" ["publication"]=> string(4) "8770" } Stereodynamical control of product branching in multi-channel barrierless hydrogen abstraction of CH3OH by F - Molecular Reaction Dynamics by Theory | LabXing

Molecular Reaction Dynamics by Theory

简介 Dynamics/Spectroscopy/Kinetics/Mechanisms

大学 重庆大学 / 化学化工学院
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Stereodynamical control of product branching in multi-channel barrierless hydrogen abstraction of CH3OH by F

2019
期刊 Chemical Science
作者 Dandan Lu · Jun Li · Hua Guo
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Comprehensive dynamical simulations of a prototypical multi-channel reaction on a globally accurate potential energy surface show that the non-statistical product branching is dictated by unique stereodynamics in the entrance channels.

  • 卷 10
  • 期 34
  • 页码 7994-8001
  • Royal Society of Chemistry (RSC)
  • ISSN: 2041-6520
  • DOI: 10.1039/c9sc02445j
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