More information: Daniil A. Boiko et al, Advancing molecular machine learning representations with stereoelectronics-infused molecular graphs, Nature Machine Intelligence (2025).

News Release 11-Mar-2025 Frontier molecular orbital weighted model based networks for revealing organic delayed fluorescence efficiency Peer-Reviewed Publication ...

A team from the SAMURAI21-NeuLAND collaboration has shown, through the study of a very close nucleus, fluorine-30, that this nucleus is ultimately not magical, and its nucleons are not held more ...

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 ...

Previous estimates of molecular oxygen around the Jovian moon topped out at over 2,000 pounds being produced per second. A new measurement suggests it's way lower than that.

The amount of oxygen in the Earth’s atmosphere makes it a habitable planet. Twenty-one percent of the atmosphere consists of this life-giving element. But in the deep past — as far back as the ...

BESSY II: Molecular orbitals determine stability Date: February 7, 2024 Source: Helmholtz-Zentrum Berlin für Materialien und Energie Summary: Carboxylic acid dianions (fumarate, maleate and ...

Molecular geometry of the trans- and cis-isomers fumarate and maleate (above, left to right) together with their hydrogenated molecule, succinate−dianions (below) . Carboxylic acid dianions ...

The bond order for O2 is 3, indicating a strong, stable bond. Conclusion By following these simple steps, you can calculate bond order using a molecular orbital diagram and gain a better understanding ...