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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The Invisible World Beneath Our Feet: How Molecular Modelling is Revolutionizing Soil Science

Discover how molecular modelling is transforming soil science, revealing the hidden molecular processes that control carbon storage, pollution filtration, and global climate regulation.

Daniel Rose
Oct 03, 2025

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