分子轨道
Molecular orbital theory was developed in the years after valence bond theory had been established (1927), primarily through the efforts of Friedrich Hund, Robert Mulliken, John C. Slater, and John Lennard-Jones. MO theory was originally called the Hund-Mulliken theory. According to physicist and physical chemist Erich Hückel, the first quantitative use of molecular orbital theory was the 1929 paper of Lennard-Jones. This paper predicted a triplet ground state for the dioxygen molecule which explained its paramagnetism (see ) before valence bond theory, which came up with its own explanation in 1931. The word "orbital" was introduced by Mulliken in 1932. By 1933, the molecular orbital theory had been accepted as a valid and useful theory.