Automatically numbering and weighting electronic states instead of taking averages improves estimates of target molecular orbitals.

(Nanowerk News) 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 ...

Chiral phonons are vibrations where atoms move in a circular pattern when energized, for example, by heat. As these vibrations travel through a material, they carry and spread tha ...

The distribution of outermost shell electrons, known as valence electrons, of organic molecules was observed for the first time. As the interactions between atoms are governed by the valence electrons ...

The distribution of outermost shell electrons, known as valence electrons, of organic molecules was experimentally observed for the first time by a team led by Nagoya University in Japan. As the ...