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Changming Ke1, Zijing Lin2

  • 1Hefei National Laboratory for Physical Sciences at Microscales, Department of Physics, School of Physical Sciences, University of Science and Technology of China, Hefei 230052, Anhui, China.

Molecules (Basel, Switzerland)
|April 2, 2020
PubMed

Keywords:
Bader charge analysisReaction mechanismactivation energyfirst-principle calculationtransition state structure

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