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 ...

Bond polarity is all about how atoms share electrons—and when that sharing isn’t equal, fascinating things happen. From electronegativity differences to molecular geometry, these factors decide ...

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

VSEPR theory provides a practical way to predict the 3D shapes of molecules by focusing on how electron pairs repel each other. This model explains why atoms arrange in specific geometries, from ...

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 ...