Atomic orbitals exist, sort of. The lobes, spheres, and donuts familiar to many chemists are like a map of where you might find electrons around a nucleus. The geometric patterns and motifs that atoms ...

Electron orbitals show where and how electrons move around atomic nuclei and molecules. In modern chemistry and physics, they have proven to be a useful model for quantum mechanical description and ...

By applying new methods of machine learning to quantum chemistry research, Heidelberg University scientists have made significant strides in computational chemistry. They have achieved a major ...

No one will ever be able to see a purely mathematical construct such as a perfect sphere. But now, scientists using supercomputer simulations and atomic resolution microscopes have imaged the ...

A valence electron in titanium oxide has been imaged at a resolution of 0.2 Angstroms using synchrotron X-ray diffraction and a new Fourier synthesis method that can determine the orbital states in ...

Often depicted as colorful balloons or clouds, electron orbitals provide information on the whereabouts of electrons in molecules, a bit like fuzzy snapshots. In order to understand the exchange of ...

Orbital-free approach enables precise, stable, and physically meaningful calculation of molecular energies and electron ...