- molecular mechanics calculations
- Макаров: молекулярно-динамические расчёты, молекулярно-механические расчёты, расчёты методом молекулярной механики
Универсальный англо-русский словарь. Академик.ру. 2011.
molecular mechanics calculations
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Molecular mechanics — A force field is used to minimize the bond stretching energy of this ethane molecule. Molecular mechanics uses Newtonian mechanics to model molecular systems. The potential energy of all systems in molecular mechanics is calculated using force… … 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 graphics — (MG) is the discipline and philosophy of studying molecules and their properties through graphical representation.[1] IUPAC limits the definition to representations on a graphical display device .[2] Ever since Dalton s atoms and Kekulé s benzene … Wikipedia
Molecular design software — is software for molecular modeling, that provides special support for developing molecular models de novo. In contrast to the usual molecular modeling programs such as the molecular dynamics and quantum chemistry programs, such software directly… … Wikipedia
Molecular modelling — The backbone dihedral angles are included in the molecular model of a protein. Modelling of ionic li … Wikipedia
Molecular modeling on GPU — Ionic liquid simulation on GPU (Ascalaph Designer) Molecular modeling on GPU is the technique of using a graphics processing unit (GPU) for molecular simulations. [1] In 2007, NVIDIA introduced video cards that could be used not only to show… … Wikipedia
Molecular Modelling Toolkit — MMTK Original author(s) Konrad Hinsen Initial release 4 January 2000 (2000 01 04) Stable release 2.7.4 / 28 April 2011; 6 months ago (2011 04 28) … Wikipedia
Molecular models of DNA — While this purified DNA precipitated in a water jug (left) appears to be a formless mass, nucleic acids actually possess intricate structure at the nanoscale (right). M … 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 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 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
