- atomic partial charges
- Макаров: атомные парциальные заряды
Универсальный англо-русский словарь. Академик.ру. 2011.
atomic partial charges
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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
CHARMM — (Chemistry at HARvard Macromolecular Mechanics) is the name of a widely used set of force fields for molecular dynamics as well as the name for the molecular dynamics simulation and analysis package associated with them.cite journal | author =… … 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
Maxwell's equations — For thermodynamic relations, see Maxwell relations. Electromagnetism … 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
Chemical bond — A chemical bond is an attraction between atoms that allows the formation of chemical substances that contain two or more atoms. The bond is caused by the electromagnetic force attraction between opposite charges, either between electrons and… … Wikipedia
Metal-organic framework — Metal Organic Frameworks are crystalline compounds consisting of metal ions or clusters coordinated to often rigid organic molecules to form one , two , or three dimensional structures that can be porous. In some cases, the pores are stable to… … Wikipedia
Counterion condensation — The counterion condensation phenomenon is commonly described by Manning’s theory (Manning 1969), which assumes that counterions can condense onto the polyions until the charged density between neighboring monomer charges along the polyion chain… … Wikipedia
DSSP (protein) — The DSSP algorithm is the standard method for assigning secondary structure to the amino acids of a protein, given the atomic resolution coordinates of the protein. The abbreviation is only mentioned once in the paper describing this… … Wikipedia
United States — a republic in the N Western Hemisphere comprising 48 conterminous states, the District of Columbia, and Alaska in North America, and Hawaii in the N Pacific. 267,954,767; conterminous United States, 3,022,387 sq. mi. (7,827,982 sq. km); with… … Universalium
liquid — liquidly, adv. liquidness, n. /lik wid/, adj. 1. composed of molecules that move freely among themselves but do not tend to separate like those of gases; neither gaseous nor solid. 2. of, pertaining to, or consisting of liquids: a liquid diet. 3 … Universalium
