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  2. 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 possibly arranged in the real three-dimensional space.

  3. 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 ...

  4. GROMOS - Wikipedia

    en.wikipedia.org/wiki/GROMOS

    GROningen MOlecular Simulation (GROMOS) is the name of a force field for molecular dynamics simulation, and a related computer software package. Both are developed at the University of Groningen, and at the Computer-Aided Chemistry Group [1] at the Laboratory for Physical Chemistry [2] at the Swiss Federal Institute of Technology ().

  5. Simplified Molecular Input Line Entry System - Wikipedia

    en.wikipedia.org/wiki/Simplified_Molecular_Input...

    The Simplified Molecular Input Line Entry System (SMILES) is a specification in the form of a line notation for describing the structure of chemical species using short ASCII strings. SMILES strings can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the molecules.

  6. Talk:Skeletal formula - Wikipedia

    en.wikipedia.org/wiki/Talk:Skeletal_formula

    The standard ways to do this are either to draw a linear double bond (e.g. CH 3 CH=CHCH 3 for but-2-ene, but not specifically (2Z)-but-2-ene or (2E)-but-2-ene), or to use a wavy bond adjacent to the double bond (this wavy bond however must not be attached to another stereogenic centre).

  7. Ball-and-stick model - Wikipedia

    en.wikipedia.org/wiki/Ball-and-stick_model

    A plastic ball-and-stick model of proline. In chemistry, the ball-and-stick model is a molecular model of a chemical substance which displays both the three-dimensional position of the atoms and the bonds between them. [1]

  8. Space-filling model - Wikipedia

    en.wikipedia.org/wiki/Space-filling_model

    A space-filling model of n-octane, the straight chain (normal) hydrocarbon composed of 8 carbons and 18 hydrogens, formulae: CH 3 CH 2 (CH 2) 4 CH 2 CH 3 or C 8 H 18.Note, the representative shown is of a single conformational "pose" of a population of molecules, which, because of low Gibbs energy barriers to rotation about its carbon-carbon bonds (giving the carbon "chain" great flexibility ...

  9. Molecular model - Wikipedia

    en.wikipedia.org/wiki/Molecular_model

    Molecular models may be created for several reasons – as pedagogic tools for students or those unfamiliar with atomistic structures; as objects to generate or test theories (e.g., the structure of DNA); as analogue computers (e.g., for measuring distances and angles in flexible systems); or as aesthetically pleasing objects on the boundary of ...