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 Invisible Dance: How Structure, Reactivity, and Dynamics Govern Our Chemical World

Explore the fundamental principles of molecular structure, chemical reactivity, and reaction dynamics that govern chemical processes at the atomic level.

Nolan Perry
Oct 29, 2025

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