Quantum chemistry uses quantum mechanics for the first-principle exploration of chemical systems. In principle, all chemical phenomena can be studied by solving the Schrödinger equation, the ...

Distance geometry is an essential field in computational mathematics and structural biology, providing the theoretical foundation and practical algorithms required to reconstruct the three‐dimensional ...

Scientists have achieved the first real-time visualization of how 'excited-state aromaticity' emerges within just hundreds of femtoseconds and then triggers a molecule to change from bent to planar ...

Fullerene's perfect symmetry turns a long-standing weakness of molecular electronics into a programmable three-state switch.

Excited state dynamics are essential for understanding fluorescence properties in molecules, impacting their application in technologies. Recent research explores how molecular structure and geometry ...