Molecular Orbital Definition

by Anne Marie Helmenstine, Ph.D.
Dr. Helmenstine holds a Ph.D. in biomedical sciences and is a science writer, educator, and consultant. She has taught science courses at the high school, college, and graduate levels.
Updated March 06, 2017

Definition: A molecular orbital is an orbital or wavefunction of a molecule's electron. Electrons around a molecule can be associated with more than one atom and are often expressed as a combination of atomic orbitals.