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  2. Bond graph - Wikipedia

    en.wikipedia.org/wiki/Bond_graph

    Bond graphs are multi-energy domain (e.g. mechanical, electrical, hydraulic, etc.) and domain neutral. This means a bond graph can incorporate multiple domains seamlessly. The bond graph is composed of the "bonds" which link together "single-port", "double-port" and "multi-port" elements (see below for details).

  3. Molecular graph - Wikipedia

    en.wikipedia.org/wiki/Molecular_graph

    A chemical graph is a labeled graph whose vertices correspond to the atoms of the compound and edges correspond to chemical bonds. Its vertices are labeled with the kinds of the corresponding atoms and edges are labeled with the types of bonds. [1] For particular purposes any of the labelings may be ignored. A hydrogen-depleted molecular graph ...

  4. VSEPR theory - Wikipedia

    en.wikipedia.org/wiki/VSEPR_theory

    A bond of higher bond order also exerts greater repulsion since the pi bond electrons contribute. [10] For example in isobutylene, (H 3 C) 2 C=CH 2, the H 3 C−C=C angle (124°) is larger than the H 3 C−C−CH 3 angle (111.5°). However, in the carbonate ion, CO 2− 3, all three C−O bonds are equivalent with angles of 120° due to resonance.

  5. Skeletal formula - Wikipedia

    en.wikipedia.org/wiki/Skeletal_formula

    The skeletal formula of the antidepressant drug escitalopram, featuring skeletal representations of heteroatoms, a triple bond, phenyl groups and stereochemistry. The skeletal formula, line-angle formula, bond-line formula or shorthand formula of an organic compound is a type of molecular structural formula that serves as a shorthand representation of a molecule's bonding and some details of ...

  6. Molecular orbital diagram - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_diagram

    The σ from the 2p is more non-bonding due to mixing, and same with the 2s σ. This also causes a large jump in energy in the 2p σ* orbital. The bond order of diatomic nitrogen is three, and it is a diamagnetic molecule. [12] The bond order for dinitrogen (1σ g 2 1σ u 2 2σ g 2 2σ u 2 1π u 4 3σ g 2) is three because two electrons are now ...

  7. Mass spectral interpretation - Wikipedia

    en.wikipedia.org/wiki/Mass_spectral_interpretation

    The ionization of alkanes weakens the C-C bond, ultimately resulting in the decomposition. [7] As the bond breaks, a charged, even electron species (R+) and a neutral radical species (R•) are generated. Highly substituted carbocations are more stable than the nonsubstituted ones. An example is depicted below. Sigma bond cleavage of an alkane.

  8. Chemical graph generator - Wikipedia

    en.wikipedia.org/wiki/Chemical_graph_generator

    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. A graph is connected if there is at least one path between each pair of vertices. Although chemical mixtures [46 ...

  9. Lewis structure - Wikipedia

    en.wikipedia.org/wiki/Lewis_structure

    Another shorthand structural diagram is the skeletal formula (also known as a bond-line formula or carbon skeleton diagram). In a skeletal formula, carbon atoms are not signified by the symbol C but by the vertices of the lines. Hydrogen atoms bonded to carbon are not shown—they can be inferred by counting the number of bonds to a particular ...