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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The Molecule Detective: Celebrating the Man Who Snared the Unseeable

A scientific tribute to Shigeru Nagase, the theoretical chemist who solved the mysteries of fleeting molecules through computational chemistry and predictive modeling.

Samuel Rivera
Oct 04, 2025

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