open shell atoms

См. также в других словарях:

• Open shell — In the context of atomic orbitals, an open shell is a valence shell which is not completely filled with electrons or that has not given all of its valence electrons through chemical bonds with other atoms or molecules during a chemical reaction.… …   Wikipedia

• Atoms in molecules — The atoms in molecules or atoms in molecules or quantum theory of atoms in molecules (Qtaim) approach is a quantum chemical model that characterizes the chemical bonding of a system based on the topology of the quantum charge density. In addition …   Wikipedia

• Dipole — This article is about the electromagnetic phenomenon. For other uses, see dipole (disambiguation). The Earth s magnetic field, approximated as a magnetic dipole. However, the N and S (north and south) poles are labeled here geographically, which… …   Wikipedia

• Giulio Racah — Giulio (Yoel) Racah ( he. פרופסור (יואל) רקח; 1909 August 28, 1965) was an Italian Israeli physicist and mathematician.Born in Florence, Italy, he took his PhD from the University there in 1930, and later studied in Rome with Enrico Fermi. In… …   Wikipedia

• Hartree-Fock — In computational physics and computational chemistry, the Hartree Fock (HF) method is an approximate method for the determination of the ground state wavefunction and ground state energy of a quantum many body system.The Hartree Fock method… …   Wikipedia

• Polyoxometalate — The term polyoxometalate (abbreviated POM) is applied to an extremely large group of generally anionic clusters with frameworks built from transition metal oxo anions linked by shared oxide ions. The term is usually applied to clusters of 3 or… …   Wikipedia

• Force field (chemistry) — In the context of molecular mechanics, a force field (also called a forcefield) refers to the functional form and parameter sets used to describe the potential energy of a system of particles (typically but not necessarily atoms). Force field… …   Wikipedia

• Radical (chemistry) — Free radical redirects here. For other uses, see Free radical (disambiguation). Moses Gomberg (1866 1947), the founder of radical chemistry Radicals (often referred to as free radicals) are atoms, molecules, or ions with unpaired electrons on an… …   Wikipedia

• Ab initio quantum chemistry methods — are computational chemistry methods based on quantum chemistry.[1] The term ab initio was first used in quantum chemistry by Robert Parr and coworkers, including David Craig in a semiempirical study on the excited states of benzene.[2][3] The… …   Wikipedia

• 5-Dehydro-m-xylylene — Chembox new Name = 5 Dehydro m xylylene ImageFile = DMX line.png ImageName = 5 Dehydro m xylylene IUPACName = 5 dehydro 1,3 quinodimethane OtherNames = 5 dehydro m xylylene, DMX Section1 = Chembox Identifiers CASNo = 681440 83 5 Section2 =… …   Wikipedia

• CNDO/2 — CNDO is the abbreviation for Complete Neglect of Differential Overlap. Although CNDO is based on quantum chemistry, it is more specifically one of the first semi empirical quantum chemistry methods. It uses two approximations: *core approximation …   Wikipedia