Cutting-Edge Theoretical Studies

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

Research Articles

The Invisible Tug of War: How Fluorinated Compounds Interact with Chloride Anions

Exploring σ-hole and π-hole bonding competitions in C6F5X compounds and their applications in separation science

Savannah Cole
Oct 21, 2025

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