molecular orbital approximation

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• Molecular orbital — See also: Molecular orbital theory In chemistry, a molecular orbital (or MO) is a mathematical function describing the wave like behavior of an electron in a molecule. This function can be used to calculate chemical and physical properties such… …   Wikipedia

• Molecular orbital theory — In chemistry, molecular orbital (MO) theory is a method for determining molecular structure in which electrons are not assigned to individual bonds between atoms, but are treated as moving under the influence of the nuclei in the whole… …   Wikipedia

• Molecular physics — is the study of the physical properties of molecules and of the chemical bonds between atoms. Its most important experimental techniques are the various types of spectroscopy. The field is closely related to atomic physics and overlaps greatly… …   Wikipedia

• Orbital hybridisation — Four sp3 orbitals. Three sp2 orbitals. In …   Wikipedia

• Molecular geometry — Geometry of the water molecule Molecular geometry or molecular structure is the three dimensional arrangement of the atoms that constitute a molecule. It determines several properties of a substance including its reactivity, polarity, phase of… …   Wikipedia

• Orbital magnetization — Orbital magnetization, , refers to the magnetization induced by orbital motion of charged particles, usually electrons, in solids. The term orbital distinguishes it from the contribution of spin degrees of freedom, , to the total magnetization. A …   Wikipedia

• Atomic orbital — The shapes of the first five atomic orbitals: 1s, 2s, 2px, 2py, and 2pz. The colors show the wave function phase. These are graphs of ψ(x,y,z) functions which depend on the coordinates of one electron. To see the elongated shape of ψ(x,y,z)2… …   Wikipedia

• Born-Oppenheimer approximation — In quantum chemistry, the computation of the energy and wavefunction of an average size molecule is a formidable task that is alleviated by the Born Oppenheimer (BO) approximation. For instance the benzene molecule consists of 12 nuclei and 42… …   Wikipedia

• chemical bonding — ▪ chemistry Introduction       any of the interactions that account for the association of atoms into molecules, ions, crystals, and other stable species that make up the familiar substances of the everyday world. When atoms approach one another …   Universalium

• Electron configuration — Electron atomic and molecular orbitals Simp …   Wikipedia

• Quantum chemistry — is a branch of theoretical chemistry, which applies quantum mechanics and quantum field theory to address issues and problems in chemistry. The description of the electronic behavior of atoms and molecules as pertaining to their reactivity is one …   Wikipedia