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1 метод линейных комбинаций атомных орбиталей
Универсальный русско-английский словарь > метод линейных комбинаций атомных орбиталей
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2 метод ЛКАО
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Linear 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 ] .… … 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
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
Modern valence bond theory — is the term used to describe applications of valence bond theory with computer programs that are competitive in accuracy and economy with programs for the Hartree Fock method and other molecular orbital based methods. The latter methods dominated … 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
Molecular orbital diagram — A molecular orbital diagram, or MO diagram for short, is a qualitative descriptive tool explaining chemical bonding in molecules in terms of molecular orbital theory in general and the Linear combination of atomic orbitals molecular orbital… … Wikipedia
Orbital hybridisation — Four sp3 orbitals. Three sp2 orbitals. In … Wikipedia
Basis set (chemistry) — A basis set in chemistry is a set of functions used to create the molecular orbitals, which are expanded as a linear combination of such functions with the weights or coefficients to be determined. Usually these functions are atomic orbitals, in… … Wikipedia
Distributed multipole analysis — (DMA) is a compact and accurate way of describing the spatial distribution of electric charge within a molecule. The DMA method was devised by Prof. Anthony Stone of Cambridge University to describe the charge distribution of a molecule in terms… … Wikipedia
chemistry — /kem euh stree/, n., pl. chemistries. 1. the science that deals with the composition and properties of substances and various elementary forms of matter. Cf. element (def. 2). 2. chemical properties, reactions, phenomena, etc.: the chemistry of… … Universalium
spectroscopy — spectroscopist /spek tros keuh pist/, n. /spek tros keuh pee, spek treuh skoh pee/, n. the science that deals with the use of the spectroscope and with spectrum analysis. [1865 70; SPECTRO + SCOPY] * * * Branch of analysis devoted to identifying… … Universalium