Cutting-Edge Theoretical Studies

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

Research Articles

China's Green Transformation: How Science is Decoding the Air Pollution Complex

Explore how Chinese scientists are unraveling the complex chemistry behind air pollution and developing innovative solutions for cleaner air.

Nathan Hughes
Oct 05, 2025

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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