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Decoding stereocontrolled organocatalyzed polymerizations using DFT as a guiding tool
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DOI：10.1016/j.mcat.2025.115472.png)
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Abstract
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• Stereocontrol in polymerization remains a key challenge in polymer science. • DFT reveals mechanisms driving enantioselectivity in organocatalysis. • Computation can guide the design of metal-free, stereoselective catalysts.
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