Chemists created a strange 'half-Mӧbius' molecule, where electrons twist freely out of place to make a continuously looping ...

IBM and an international team of researchers have used a quantum computer to accurately simulate the electronic structure of ...

Called a landmark discovery, scientists create a molecule with an unprecedented electronic pattern that revolutionizes ...

Uranium dioxide, the principal nuclear fuel in many reactors, exhibits complex defect chemistry that directly influences its electronic structure and overall performance. The presence of point defects ...

The development of advanced methodologies in theoretical chemistry has been crucial to improve our microscopic understanding of molecular processes, not only enhancing our ability to model and predict ...

Scientists have decoded the electronic structure of water, opening up new perspectives for technological and environmental applications. There is no doubt that water is significant. Without it, life ...

Electronic structure as a research area focuses on the quantum-mechanical description of electrons in atoms, molecules, solids, and nanostructures, and on how this governs their structural, ...