Molecular orbital theory gives a quantum-level view of bonding that explains mysteries Lewis structures can’t, such as oxygen’s unexpected magnetism. By considering orbital overlap and the formation ...

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 ...

Simulating how atoms and molecules move over time is a central challenge in computational chemistry and materials science.

Perovskite solar cells are a rapidly advancing photovoltaic technology that has seen a dramatic rise in power conversion ...

Based on papers from two conferences, the first held in Boston, April 14-15, 1991, and the second held in New York, N.Y., Jan. 16-1993; with new papers added. Philosophy, history, and molecular ...