Cutting-Edge Theoretical Studies

Dive into peer-reviewed articles on DFT simulations, reaction mechanisms, and ab initio calculations shaping modern chemical science.

Research Articles

Molecular Matchmaking: How Scientists Taught a Catalyst to Be More Selective

Discover how supramolecular catalysis combined with rational computational design is revolutionizing rhodium-catalyzed asymmetric hydrogenation for precise chemical synthesis.

Leo Kelly
Oct 06, 2025

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