optimized geometries

optimized geometries
Макаров: оптимизированные геометрии

Универсальный англо-русский словарь. . 2011.

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  • MOLCAS — is an ab initio computational chemistry program, developed at Lund University. Focus in the program is placed on methods for calculating general electronic structures in molecular systems in both ground and excited states. MOLCAS is, in… …   Wikipedia

  • Champ de force (chimie) — Pour les articles homonymes, voir champ de force. Un champ de force peut par exemple être utilisé afin de minimiser l énergie d étirement de cette molécule d éthane. Dans le cadre de la m …   Wikipédia en Français

  • 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

  • Drill bit — For the fictional character, see Drill Bit (Transformers). For the cancelled skyscraper nicknamed Drill bit, see Chicago Spire. For the types used in drilling wells, see Well drilling. From top to bottom: Spade, lip and spur (brad point), masonry …   Wikipedia

  • PostGIS — Infobox Software name = PostGIS developer = Refractions Research latest release version = 1.3.3 latest release date = April 12, 2008 operating system = GNU/Linux, MS Windows, Mac OS X, POSIX compliant systems genre = Geographic information system …   Wikipedia

  • Direct digital manufacturing — Direct digital manufacturing, sometimes called additive, rapid, direct, instant, or on demand manufacturing, is a manufacturing process which creates physical parts directly from 3D CAD files or data using computer controlled additive and… …   Wikipedia

  • Walsh diagram — of an HAH molecule. Walsh diagrams, often called angular coordinate diagrams or correlation diagrams, are representations of calculated orbital energies of a molecule versus a distortion coordinate, used for making quick predictions about the… …   Wikipedia

  • Chemical biology — is a scientific discipline spanning the fields of chemistry and biology that involves the application of chemical techniques and tools, often compounds produced through synthetic chemistry, to the study and manipulation of biological systems.… …   Wikipedia

  • Nonimaging optics — (also called anidolic optics)[1][2] is the branch of optics concerned with the optimal transfer of light radiation between a source and a target. Unlike traditional imaging optics, the techniques involved do not attempt to form an image of the… …   Wikipedia

  • Monte Carlo method for photon transport — Modeling photon propagation with Monte Carlo methods is a flexible yet rigorous approach to simulate photon transport. In the method, local rules of photon transport are expressed as probability distributions which describe the step size of… …   Wikipedia

  • Finite element method — The finite element method (FEM) (sometimes referred to as finite element analysis) is a numerical technique for finding approximate solutions of partial differential equations (PDE) as well as of integral equations. The solution approach is based …   Wikipedia


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