open-shell atom

См. также в других словарях:

• shell — less, adj. shell like, adj. /shel/, n. 1. a hard outer covering of an animal, as the hard case of a mollusk, or either half of the case of a bivalve mollusk. 2. any of various objects resembling such a covering, as in shape or in being more or… …   Universalium

• atom — /at euhm/, n. 1. Physics. a. the smallest component of an element having the chemical properties of the element, consisting of a nucleus containing combinations of neutrons and protons and one or more electrons bound to the nucleus by electrical… …   Universalium

• shell — Synonyms and related words: Eustachian tube, L, R, acting area, aim at, alveolation, alveolus, ante up, antrum, anvil, apron, apron stage, armadillo shell, armature, armor, armor plate, armpit, atom, atomic model, attack, auditory apparatus,… …   Moby Thesaurus

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• 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

• 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

• Hund's rule of maximum multiplicity — is an observational rule which states that a greater total spin state usually makes the resulting atom more stable. Accordingly, it can be taken that if two or more orbitals of equal energy are available, electrons will occupy them singly before… …   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

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• Multi-configurational self-consistent field — Electronic structure methods Tight binding Nearly free electron model Hartree–Fock method Modern valence bond Generalized valence bond Møller–Plesset perturbation theory …   Wikipedia