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  2. Lewis structure - Wikipedia

    en.wikipedia.org/wiki/Lewis_structure

    Each bond consists of a pair of electrons, so if t is the total number of electrons to be placed and n is the number of single bonds just drawn, t−2n electrons remain to be placed. These are temporarily drawn as dots, one per electron, to a maximum of eight per atom (two in the case of hydrogen), minus two for each bond.

  3. Bond graph - Wikipedia

    en.wikipedia.org/wiki/Bond_graph

    As a word bond graph, this system would look like: A half-arrow is used to provide a sign convention, so if the engine is doing work when τ and ω are positive, then the diagram would be drawn: This system can also be represented in a more general method. This involves changing from using the words, to symbols representing the same items.

  4. Structural formula - Wikipedia

    en.wikipedia.org/wiki/Structural_formula

    Skeletal structural formula of Vitamin B 12.Many organic molecules are too complicated to be specified by a molecular formula.. The structural formula of a chemical compound is a graphic representation of the molecular structure (determined by structural chemistry methods), showing how the atoms are connected to one another. [1]

  5. Chemical graph generator - Wikipedia

    en.wikipedia.org/wiki/Chemical_graph_generator

    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.

  6. Molecular graph - Wikipedia

    en.wikipedia.org/wiki/Molecular_graph

    In chemical graph theory and in mathematical chemistry, a molecular graph or chemical graph is a representation of the structural formula of a chemical compound in terms of graph theory. A chemical graph is a labeled graph whose vertices correspond to the atoms of the compound and edges correspond to chemical bonds.

  7. Wikipedia:Molecular structure diagram - Wikipedia

    en.wikipedia.org/wiki/Wikipedia:Molecular...

    Three dimensionality is best highlighted by the depictions of bonds, using wedges, bolding, and hashed formats. Some artists highlight three-dimensionality by varying fonts sizes, e.g. slightly larger fonts for the "front" atoms. In organic chemistry, double bonds and C-H bonds are shorter than most single bonds.

  8. Reaction coordinate - Wikipedia

    en.wikipedia.org/wiki/Reaction_coordinate

    [2] An example is the complexation of two molecules. The distance between both of them is the collective variable, where the atomic positions are the individual variables x i and the reaction coordinate ξ would be the full path of association and dissociation. By applying a bias to the collective variables the simulation can be 'steered ...

  9. Molecular geometry - Wikipedia

    en.wikipedia.org/wiki/Molecular_geometry

    Molecular geometries can be specified in terms of 'bond lengths', 'bond angles' and 'torsional angles'. The bond length is defined to be the average distance between the nuclei of two atoms bonded together in any given molecule. A bond angle is the angle formed between three atoms across at least two bonds.