Cutting-Edge Theoretical Studies

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

Research Articles

Quantum Computers in a Test Tube: How Computational Chemistry is Predicting NMR and Acidity in Solid Catalysts

Explore how quantum chemical calculations revolutionize NMR spectroscopy and acidity prediction in solid catalysts through computational breakthroughs like IMPRESSION-G2.

Wyatt Campbell
Oct 28, 2025

Popular Articles