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 Hidden Chemistry That Cleans Our Air at Night: How Computer Models Predict Atmospheric Cleaning

Discover how QSPR modeling predicts VOC oxidation by NO3 radicals in our atmosphere and helps understand nighttime atmospheric chemistry.

Easton Henderson
Oct 04, 2025

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