Molecular orbitals are functions that attempt to describe the wave-like behavior of electrons. In this model, the molecule is assumed to be an entirely new entity consisting of charged nuclei and electrons. They are similar to atomic orbitals in that they hold two electrons with opposite spins and that the square of the orbital function indicates electron location probability. The more stable of the molecular orbitals is the bonding. You can tell because of its shape: it is one long, functional, orbital that holds the two electrons together. The antibonding orbital is two separate and distinct parts that will repel each other.
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