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Then, the output is translated into the "language" of common use: molar and mass concentrations, alkalinity, buffer capacities, water hardness, conductivity and others. History. Version 1.0 was released in January 2012 (after a half-year test run in 2011). The project is active with 1-2 updates per month.
Free open source: ms-2.de: OpenMM: No No Yes Yes Yes Yes No Yes Yes High Performance MD, highly flexible, Python scriptable Free open source MIT: OpenMM: Orac: No No Yes Yes No Yes No Yes No Molecular dynamics simulation program to explore free energy surfaces in biomolecular systems at the atomic level Free open source: Orac download page ...
In the International System of Units (SI), the coherent unit for molar concentration is mol/m 3. However, most chemical literature traditionally uses mol/dm 3, which is the same as mol/L. This traditional unit is often called a molar and denoted by the letter M, for example: 1 mol/m 3 = 10 −3 mol/dm 3 = 10 −3 mol/L = 10 −3 M = 1 mM = 1 ...
Gaussian / ˈ ɡ aʊ s i ə n / is a general purpose computational chemistry software package initially released in 1970 by John Pople [1] [2] and his research group at Carnegie Mellon University as Gaussian 70. [3]
Download QR code; Print/export Download as PDF; Printable version; In other projects Wikidata item; ... M denotes the non-SI unit molar: 1 M = 1 mol/L = 10 −3 mol/m 3.
The term molality is formed in analogy to molarity which is the molar concentration of a solution. The earliest known use of the intensive property molality and of its adjectival unit, the now-deprecated molal, appears to have been published by G. N. Lewis and M. Randall in the 1923 publication of Thermodynamics and the Free Energies of Chemical Substances. [3]
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Jmol is computer software for molecular modelling of chemical structures in 3 dimensions. [2] It is an open-source Java viewer for chemical structures in 3D [3]. The name originated from ava (the programming language) + [mol]ecules, and also the mol file format. JSmol is an implementation in JavaScript of the functionality of Jmol. [4]