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 Social Life of Molecules: How Kenichi Fukui Charted Chemical Conversations

Explore Kenichi Fukui's groundbreaking Frontier Orbital Theory that revolutionized chemistry by revealing how molecules interact through their frontier electrons.

Aria West
Oct 24, 2025

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