- perturbation molecular orbital theory
- Makarov: PMO
Универсальный русско-английский словарь. Академик.ру. 2011.
perturbation molecular orbital theory
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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
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
Molecular term symbol — In molecular physics, the molecular term symbol is a shorthand expression of the group representation and angular momenta that characterize the state of a molecule, i.e. its electronic quantum state which is an eigenstate of the electronic… … Wikipedia
Møller–Plesset perturbation theory — Electronic structure methods Tight binding Nearly free electron model Hartree–Fock method Modern valence bond Generalized valence bond Møller–Plesset perturbation th … Wikipedia
Møller-Plesset perturbation theory — (MP) is one of several quantum chemistry post Hartree Fock ab initio methods in the field of computational chemistry. It improves on the Hartree Fock method by adding electron correlation effects by means of Rayleigh Schrödinger perturbation… … Wikipedia
n-electron valence state perturbation theory — In quantum chemistry, n electron valence state perturbation theory (NEVPT) is a perturbative treatment applicable to multireference CASCI type wavefunctions. It can be considered as a generalization of the well known second order Møller Plesset… … Wikipedia
N-Electron Valence state Perturbation Theory — In quantum chemistry, N Electron Valence state Perturbation Theory (NEVPT) is a perturbative treatment applicable to multireference CASCI type wavefunctions. It can be considered as a generalization of the well known second order Møller Plesset… … Wikipedia
Density functional theory — Electronic structure methods Tight binding Nearly free electron model Hartree–Fock method Modern valence bond Generalized valence bond Møller–Plesset perturbation theory … 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
Michael J. S. Dewar — Born September 24, 1918(1918 09 24) Ahmednagar, India, Asia Died October 10, 1997( … Wikipedia
Théorie de l'orbitale moléculaire — En chimie, la théorie de l orbitale moléculaire (théorie OM ou théorie MO pour l anglais molecular orbital) est une méthode destinée à la détermination d une structure moléculaire dans laquelle les électrons ne sont pas assignés à des liaisons… … Wikipédia en Français
