From the locked geometry of cis-trans isomers to the invisible tug-of-war of molecular polarity, chemistry’s building blocks determine how substances behave. These structural differences influence ...

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 ...

Molecular polarity and intermolecular forces explain why substances dissolve, boil, or stick together the way they do. From the shape of a molecule to the pull of its atoms, polarity determines ...

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 ...

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