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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 ... Avogadro is a molecule editor and visualizer designed for cross-platform use in computational chemistry, ... Free and open ...
New graph-theoretic algorithms were invented by Lederberg, Harold Brown, and others that generate all graphs with a specified set of nodes and connection-types (chemical atoms and bonds) -- with or without cycles. Moreover, the team was able to prove mathematically that the generator is complete, in that it produces all graphs with the ...
Free open-source: C [9] Jmol: Free open-source: Java (applet or standalone program) Transpiled HTML5/JavaScript for browser [10] [self-published source?] Supports advanced capabilities such as loading multiple molecules with independent movement, surfaces and molecular orbitals, cavity visualization, crystal symmetry MDL Chime: Proprietary ...
The primary difference between a computer algebra system and a traditional calculator is the ability to deal with equations symbolically rather than numerically. The precise uses and capabilities of these systems differ greatly from one system to another, yet their purpose remains the same: manipulation of symbolic equations.
In the 14 years since the iPad was first released, it has never had Apple's official Calculator app.
In terms of a graph-based computational procedure, SMILES is a string obtained by printing the symbol nodes encountered in a depth-first tree traversal of a chemical graph. The chemical graph is first trimmed to remove hydrogen atoms and cycles are broken to turn it into a spanning tree. Where cycles have been broken, numeric suffix labels are ...
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.