Quantum Chemistry Research Repository

Access in-depth studies on molecular simulations, electronic structure theories, and quantum computational advancements

Research Articles

The Quantum Tug-of-War: Where Hydrogen Bonding Ends and a Chemical Bond Begins

Explore the fascinating transition where hydrogen bonds transform into covalent chemical bonds under extreme pressure and conditions.

Jonathan Peterson
Oct 13, 2025

Mapping the Invisible: The QTAIM Quest to See Chemical Bonds

Explore how Quantum Theory of Atoms in Molecules (QTAIM) revolutionized chemistry by providing a mathematical framework to visualize and understand chemical bonds.

Olivia Bennett
Aug 22, 2025

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