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Mechanism of methylacetylene bisselenation catalyzed by palladium complex from density functional study.

Meiyan WangLin ChengJinping WangZhijian Wu
Published in: J. Comput. Chem. (2011)
Keyphrases
  • simulation study
  • real world
  • complex systems
  • high level
  • empirical studies
  • density function
  • real time
  • data sets
  • learning algorithm
  • multiscale
  • reinforcement learning
  • theoretical framework
  • factors affecting