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Keyword [Density functiontheory]
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1. Palladium-Catalyzed Cycloarbonylation Ofallylicalcohols: Insights From A DFT Study
2. Theoretical Calculation Study Of Graphene-based Electrocatalysts For Oxygen Reduction Reaction
3. Internal Charge Transfer (ICT) Mechanism Of The Ratiometric1,8-naphtalimide Fluorescent Probes For Cu(Ⅱ)
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