- qualitative molecular mechanics approach
- Макаров: качественный подход в рамках метода молекулярной механики
Универсальный англо-русский словарь. Академик.ру. 2011.
qualitative molecular mechanics approach
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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
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
Computational chemistry — is a branch of chemistry that uses principles of computer science to assist in solving chemical problems. It uses the results of theoretical chemistry, incorporated into efficient computer programs, to calculate the structures and properties of… … Wikipedia
Homology modeling — Homology modeling, also known as comparative modeling of protein refers to constructing an atomic resolution model of the target protein from its amino acid sequence and an experimental three dimensional structure of a related homologous protein… … Wikipedia
Drug design — Not to be confused with Designer drug. Drug design, also sometimes referred to as rational drug design or structure based drug design, is the inventive process of finding new medications based on the knowledge of the biological target.[1] The… … Wikipedia
Partial charge — A partial charge is a charge with an absolute value of less than one elementary charge unit (that is, smaller than the charge of the electron).Partial atomic chargesPartial charges are created due to the asymmetric distribution of electrons in… … 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
analysis — /euh nal euh sis/, n., pl. analyses / seez /. 1. the separating of any material or abstract entity into its constituent elements (opposed to synthesis). 2. this process as a method of studying the nature of something or of determining its… … Universalium
cosmos — /koz meuhs, mohs/, n., pl. cosmos, cosmoses for 2, 4. 1. the world or universe regarded as an orderly, harmonious system. 2. a complete, orderly, harmonious system. 3. order; harmony. 4. any composite plant of the genus Cosmos, of tropical… … Universalium
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
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
