Search results
Results from the WOW.Com Content Network
Space-filling model of loratadine created using Avogadro.. Molecule builder-editor for Windows, Linux, Unix, and macOS.; All source code is licensed under the GNU General Public License (GPL) version 2.
A formula editor is a computer program that is used to typeset mathematical formulas and mathematical expressions. Formula editors typically serve two purposes: They allow word processing and publication of technical content either for print publication, or to generate raster images for web pages or screen presentations.
Orac download page: NAMD + VMD: Yes Yes Yes Yes No Yes I Yes Yes Fast, parallel MD, CUDA Proprietary, free academic use, source code Beckman Institute: NWChem: No No Yes Yes No No Yes No No High-performance computational chemistry software, includes quantum mechanics, molecular dynamics and combined QM-MM methods
PhET Interactive Simulations is part of the University of Colorado Boulder which is a member of the Association of American Universities. [10] The team changes over time and has about 16 members consisting of professors, post-doctoral students, researchers, education specialists, software engineers (sometimes contractors), educators, and administrative assistants. [11]
Computational chemistry is a branch of chemistry that uses computer simulations to assist in solving chemical problems. [1] It uses methods of theoretical chemistry incorporated into computer programs to calculate the structures and properties of molecules , groups of molecules, and solids. [ 2 ]
The mortar and pestle, already used for thousands of years, is a standard tool even in modern laboratories. More modern solutions are based on blender type instruments, bead mills , ultrasonic treatment (also sonication ), rotor-stator mechanical, high pressure, and many other physical forces.
The generator is purely mathematical and does not involve the interpretation of any spectral data. Spectral data are used for structure scoring and substructure information. Based on the molecular formula, the generator forms bonds between pairs of atoms, and all the extensions are checked against the given constraints.
In numerical analysis, mortar methods are discretization methods for partial differential equations, which use separate finite element discretization on nonoverlapping subdomains. The meshes on the subdomains do not match on the interface, and the equality of the solution is enforced by Lagrange multipliers , judiciously chosen to preserve the ...