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Hua Yuan

Hua Yuan

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/wp-content/uploads/2021/02/clear.png 0 0 Academic Web Pages /wp-content/uploads/2021/02/clear.png Academic Web Pages2021-02-08 15:14:552021-12-21 23:21:46Hua Yuan

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allostery arynes Asymmetric Catalysis biosynthesis C-H functionalization catalysis catalytic mechanism computation conformational analysis conformational dynamics data-mining descriptors Design DFT-D3 Dispersion Correction dynamics enantioselecitivty enantioselectivity enzyme catalysis enzymes epigenetics featurization Gaussian GNN graph network graph neural network H-bonding heterocycles Informatics ion-pairing Kinetic Isotope Effect kinetics machine learning mechanism molecular features natural products nmr non-covalent interactions Noncovalent Interactions oniom ions parameters photocatalysis photochemistry physical organic descriptors prediction python Quasiharmonic regioselectivity site-selecitivity site-selectivity software stereoselectivity Structure-Selectivity Relationships structure prediction thermochemistry Vibrational Entropy

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Colorado State University
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