Cutting-Edge Theoretical Studies

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

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Decoding Nature's Dance: How Computers Revolutionize Chemical Reaction Modeling

Explore how computer-aided construction of chemical kinetic models is revolutionizing our understanding of molecular interactions and accelerating scientific discovery.

Aiden Kelly
Aug 20, 2025

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