array(2) { ["lab"]=> string(4) "1074" ["publication"]=> string(4) "8789" } An accurate multi-channel multi-reference full-dimensional global potential energy surface for the lowest triplet state of H2O2 - Molecular Reaction Dynamics by Theory | LabXing

Molecular Reaction Dynamics by Theory

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大学 重庆大学 / 化学化工学院
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An accurate multi-channel multi-reference full-dimensional global potential energy surface for the lowest triplet state of H2O2

2016
期刊 Physical Chemistry Chemical Physics
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A full dimensional potential energy surface for the lowest triplet state of H2O2 was developed at the MRCI-F12 level.

  • 卷 18
  • 期 43
  • 页码 29825-29835
  • Royal Society of Chemistry (RSC)
  • ISSN: 1463-9076
  • DOI: 10.1039/c6cp06232f
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