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Density functional theory is computational technique used to predict the properties of molecules and bulk materials. It is a method for investigating the electronic structure of many-body systems ...

First, we developed a visible-light-induced, organocatalyzed [2 + 1] cyclization of alkynes and trifluoroacetylsilanes, leading to the synthesis of cyclopropenols. Mechanistic studies provided ...

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State Key Laboratory of Physical Chemistry of Solid Surfaces, National Engineering Laboratory for Green Chemical Productions of Alcohols-Ethers-Esters, College of Chemistry and Chemical Engineering, ...