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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Beyond the Molecule: How Mathematical Indices Are Guiding Our Fight Against COVID-19

Explore how atom-bond connectivity indices are revolutionizing COVID-19 research by predicting drug effectiveness and accelerating drug discovery through mathematical approaches.

Daniel Rose
Aug 22, 2025

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