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Windows, Linux, OS X; SVL programming language Build, edit and visualise small molecules, macromolecules, protein-ligand complexes, crystal lattices, molecular and property surfaces. Platform for extensive collection of molecular modelling / drug discovery applications.
In graph theory, the degree of a vertex is its number of connections. In a chemical graph, the maximum degree of an atom is its valence, and the maximum number of bonds a chemical element can make. For example, carbon's valence is 4. In a chemical graph, an atom is saturated if it reaches its valence.
Download as PDF; Printable version; In other projects ... Solvent Density (g cm-3) Boiling point (°C) K b (°C⋅kg/mol) Freezing point (°C) K f (°C⋅kg/mol) Data ...
Spartan is a molecular modelling and computational chemistry application from Wavefunction. [2] It contains code for molecular mechanics, semi-empirical methods, ab initio models, [3] density functional models, [4] post-Hartree–Fock models, [5] thermochemical recipes including G3(MP2) [6] and T1.
In it, geometrical shapes can be made, as well as expressions from the normal graphing calculator, with extra features. [8] In September 2023, Desmos released a beta for a 3D calculator, which added features on top of the 2D calculator, including cross products, partial derivatives and double-variable parametric equations.
Obsidian operates on a folder of text documents named a "vault"; [18] each new note in Obsidian generates a new text document, and all documents can be searched from within the app [16] [4]. Obsidian allows internal linking between notes, with links forming an interactive graph that visualizes the relationships between notes.
Chromatography software is called also Chromatography Data System. [1] It is located in the data station of the modern liquid, gas or supercritical fluid chromatographic systems.
In thermodynamics, the ebullioscopic constant K b relates molality b to boiling point elevation. [1] It is the ratio of the latter to the former: = i is the van 't Hoff factor, the number of particles the solute splits into or forms when dissolved. b is the molality of the solution.