Cutting-Edge Theoretical Studies

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

Research Articles

The Two-Faced Molecule: How a Simple Ring Shapes Life's Building Blocks

Exploring the quantum behavior of 2-Pyrrolidinone and its implications for understanding biological structures through computational chemistry.

Allison Howard
Aug 20, 2025

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