- ab initio model potential
- Makarov: AIMP
Универсальный русско-английский словарь. Академик.ру. 2011.
Универсальный русско-английский словарь. Академик.ру. 2011.
Strontium chloride — IUPAC name Strontium chloride … Wikipedia
Bariumbromid — Kristallstruktur Ba2+ … Deutsch Wikipedia
Bariumfluorid — Kristallstruktur Ba2+: F … Deutsch 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
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
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
Electronic band structure — In solid state physics, the electronic band structure (or simply band structure) of a solid describes ranges of energy that an electron is forbidden or allowed to have. It is due to the diffraction of the quantum mechanical electron waves in the… … Wikipedia
Force field (chemistry) — In the context of molecular mechanics, a force field (also called a forcefield) refers to the functional form and parameter sets used to describe the potential energy of a system of particles (typically but not necessarily atoms). Force field… … Wikipedia
Nuclear force — This article is about the force that holds nucleons together in a nucleus. For the force that holds quarks together in a nucleon, see Strong interaction. A Feynman diagram of a strong proton neutron interaction mediated by a neutral pion. Time… … 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
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