Quantum Chemistry Research Repository

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

Research Articles

Mapping the Invisible: How Scientists Finally Learned to Count Electrons Accurately

Discover how DDEC6 atomic population analysis revolutionizes electron counting in molecules, enabling breakthroughs in drug design and materials science.

Isabella Reed
Oct 17, 2025

The Atomic Democracy: How Scientists Finally Learned to Share Electrons Fairly

Explore how the DDEC6 computational method revolutionizes our understanding of atomic charges in materials science, providing a consistent and fair distribution of electrons.

Caroline Ward
Aug 19, 2025

Popular Articles