Cutting-Edge Theoretical Studies

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

Research Articles

Atomic Wires: The World's Thinnest Ionic Chains Inside Carbon Nanotubes

Explore the fascinating world of one-dimensional ionic chains confined within carbon nanotubes, their unique properties, dynamic behaviors, and potential applications.

Aiden Kelly
Aug 23, 2025

Beyond Graphene: The Rise of Boron Nitride Nanomaterials

Exploring the revolutionary potential of boron nitride nanomaterials as the next-generation advanced materials for electronics, energy systems, and sustainable technologies.

Aaron Cooper
Aug 10, 2025

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