Tomographic imaging of a molecular orbital is achieved in three crucial ... continuum wave packet in such a way that the low kinetic energy (long de Broglie wavelength) part of the wave packet ...

Molecular machine learning (ML) underpins critical workflows in drug discovery, material science, and catalyst optimization ...

and highest occupied molecular orbital (HOMO) energy levels of the supports. The energy positions of LUMO and HOMO with particle size were experimentally determined by ultraviolet-visible (UV-Vis ...

By focusing on the HOMO (highest occupied molecular orbital), LUMO (lowest unoccupied molecular orbital), HOMO-1, and LUMO+1 orbitals, ESIN can identify key molecular features that influence PLQY ...

The so-called molecular orbital theory thus makes it possible ... which led to its widespread use and application. "Usually, the energy and location of electrons are analyzed.

Plants mastered the art of harvesting sunlight billions of years ago, using elegant rings of pigments in their leaves. Now, ...

Group theory is used to predict vibrational spectra and to construct molecular orbital energy level diagrams. The MO description is used to explain the bonding and stability of a range of compounds, ...