Molecular Orbital Theory

Molecular Orbital Theory is a fundamental concept in quantum chemistry that elucidates the behavior of electrons within molecules. This theoretical framework extends the principles of atomic orbitals to predict the distribution of electrons in molecular structures, providing insights into their stability, bonding, and spectroscopic properties. By mathematically combining atomic orbitals, the theory offers a comprehensive understanding of molecular electronic structures, allowing chemists to interpret and predict the diverse array of molecular properties observed in chemical reactions and materials.