Cutting-Edge Theoretical Studies

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

Research Articles

Golden Nano-Alchemy: How Tiny Gold Clusters Supercharge Titanium Dioxide

Explore how ultra-small gold clusters revolutionize titanium dioxide photocatalysis, enabling visible light activation for environmental applications.

Elizabeth Butler
Oct 22, 2025

The Invisible Transformation: How Trace Doping Revolutionizes Metal-Organic Frameworks

Discover how trace molecular doping transforms metal-organic frameworks while preserving their structure, enabling breakthroughs in sustainable energy and catalysis.

Harper Peterson
Oct 17, 2025

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