- method of molecular orbitals
- Макаров: метод молекулярных орбиталей
Универсальный англо-русский словарь. Академик.ру. 2011.
method of molecular orbitals
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Molecular symmetry — in chemistry describes the symmetry present in molecules and the classification of molecules according to their symmetry. Molecular symmetry is a fundamental concept in chemistry, as it can predict or explain many of a molecule s chemical… … 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
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
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
Molecular dynamics — (MD) is a computer simulation of physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a period of time, giving a view of the motion of the atoms. In the most common version, the trajectories of molecules… … Wikipedia
Molecular Hamiltonian — In atomic, molecular, and optical physics as well as in quantum chemistry, molecular Hamiltonian is the name given to the Hamiltonian representing the energy of the electrons and nuclei in a molecule. This Hermitian operator and the associated… … Wikipedia
Molecular electronics — For quantum mechanical study of the electron distribution in a molecule, see stereoelectronics. Molecular electronics, sometimes called moletronics, involves the study and application of molecular building blocks for the fabrication of electronic … Wikipedia
Molecular geometry — Geometry of the water molecule Molecular geometry or molecular structure is the three dimensional arrangement of the atoms that constitute a molecule. It determines several properties of a substance including its reactivity, polarity, phase of… … Wikipedia
Hückel method — The Hückel method or Hückel molecular orbital method (HMO) proposed by Erich Hückel in 1930, is a very simple linear combination of atomic orbitals molecular orbitals (LCAO MO) method for the determination of energies of molecular orbitals of pi… … Wikipedia
Extended Huckel method — The extended Hückel method is a semiempirical quantum chemistry method, developed by Roald Hoffmann since 1963. [Hoffmann, R. An Extended Hückel Theory. I. Hydrocarbons. J. Chem. Phys 1963, 39 , 1397 1412. doi|10.1063/1.1734456] It is based on… … Wikipedia
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
