pople-pariser-parr molecular orbitals
1Linear combination of atomic orbitals molecular orbital method — A linear combination of atomic orbitals or LCAO is a quantum superposition of atomic orbitals and a technique for calculating molecular orbitals in quantum chemistry [Huheey, James. Inorganic Chemistry:Principles of Structure and Reactivity ] .… …
2Erich Hückel — Erich Armand Arthur Joseph Hückel (August 9, 1896 February 16, 1980) was a German physicist and physical chemist. He is known for two major contributions: *The Debye Hückel theory of electrolytic solutions *The Hückel method of approximate… …
3Zero-differential overlap — is an approximation that is used to ignore certain integrals, usually two electron repulsion integrals, in Semi empirical quantum chemistry methods quantum chemistry molecular orbital methods.If the molecular orbitals mathbf{Phi} i are expanded… …
4Hückel's rule — In organic chemistry, Hückel s rule estimates whether a planar ring molecule will have aromatic properties. The quantum mechanical basis for its formulation was first worked out by physical chemist Erich Hückel in 1931. It was first expressed… …
