- generalized molecular orbital method
- Макаров: обобщённый метод молекулярных орбиталей
Универсальный англо-русский словарь. Академик.ру. 2011.
generalized molecular orbital method
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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
Fragment molecular orbital — The fragment molecular orbital method (FMO) is a computational method that can compute very large molecular systems with thousands of atoms using ab initio quantum chemical wave functions. Introduction The fragment molecular orbital method (FMO)… … 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
Tight binding — Electronic structure methods Tight binding Nearly free electron model Hartree–Fock method Modern valence bond Generalized valence bond Møller–Plesset perturbat … Wikipedia
Coupled cluster — Electronic structure methods Tight binding Nearly free electron model Hartree–Fock method Modern valence bond Generalized valence bond Møller–Plesset perturbation theory … Wikipedia
physical science — physical scientist. 1. any of the natural sciences dealing with inanimate matter or with energy, as physics, chemistry, and astronomy. 2. these sciences collectively. [1835 45] * * * Introduction the systematic study of the inorganic world … Universalium
GAMESS (US) — is a computational chemistry software program that stands for General Atomic and Molecular Electronic Structure System. [ Computational Chemistry , David Young, Wiley Interscience, 2001. Appendix A. A.2.3 pg 334, GAMESS ] [ cite… … Wikipedia
Möbius–Hückel concept — The Möbius Hückel treatment is one of two predicting reaction allowedness versus forbiddeness. The concept is the counterpart of the Woodward Hoffmann approach. The methodology in this treatment utilizes the plus minus sign parity in proceeding… … 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
Коптюг — Коптюг, Валентин Афанасьевич Валентин Афанасьевич Коптюг Дата рождения: 9 июня 1931(1931 06 09) Место рождения: Юхнов, Западная область, СССР Дата смерти: 10 января 1997 … Википедия
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
