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  2. Pentagonal bipyramidal molecular geometry - Wikipedia

    en.wikipedia.org/wiki/Pentagonal_bipyramidal...

    Structure of iodine heptafluoride, an example of a molecule with the pentagonal-bipyramidal coordination geometry. In chemistry, a pentagonal bipyramid is a molecular geometry with one atom at the centre with seven ligands at the corners of a pentagonal bipyramid. A perfect pentagonal bipyramid belongs to the molecular point group D 5h.

  3. Molecular geometry - Wikipedia

    en.wikipedia.org/wiki/Molecular_geometry

    Molecular geometry is the three-dimensional arrangement of the atoms that constitute a molecule. It includes the general shape of the molecule as well as bond lengths , bond angles , torsional angles and any other geometrical parameters that determine the position of each atom.

  4. Periodic boundary conditions - Wikipedia

    en.wikipedia.org/wiki/Periodic_boundary_conditions

    Periodic boundary conditions in 2D Unit cell with water molecules, used to simulate flowing water. Periodic boundary conditions (PBCs) are a set of boundary conditions which are often chosen for approximating a large (infinite) system by using a small part called a unit cell. PBCs are often used in computer simulations and mathematical models.

  5. 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 ...

  6. Trigonal bipyramidal molecular geometry - Wikipedia

    en.wikipedia.org/wiki/Trigonal_bipyramidal...

    In chemistry, a trigonal bipyramid formation is a molecular geometry with one atom at the center and 5 more atoms at the corners of a triangular bipyramid. [1] This is one geometry for which the bond angles surrounding the central atom are not identical (see also pentagonal bipyramid), because there is no geometrical arrangement with five terminal atoms in equivalent positions.

  7. Mathematical and theoretical biology - Wikipedia

    en.wikipedia.org/wiki/Mathematical_and...

    Mathematical and theoretical biology, or biomathematics, is a branch of biology which employs theoretical analysis, mathematical models and abstractions of living organisms to investigate the principles that govern the structure, development and behavior of the systems, as opposed to experimental biology which deals with the conduction of ...

  8. Square pyramidal molecular geometry - Wikipedia

    en.wikipedia.org/wiki/Square_pyramidal_molecular...

    Structure of xenon oxytetrafluoride, an example of a molecule with the square pyramidal coordination geometry. Square pyramidal geometry describes the shape of certain chemical compounds with the formula ML 5 where L is a ligand. If the ligand atoms were connected, the resulting shape would be that of a pyramid with a square base.

  9. VSEPR theory - Wikipedia

    en.wikipedia.org/wiki/VSEPR_theory

    [1]: 416 The geometry of the central atoms and their non-bonding electron pairs in turn determine the geometry of the larger whole molecule. The number of electron pairs in the valence shell of a central atom is determined after drawing the Lewis structure of the molecule, and expanding it to show all bonding groups and lone pairs of electrons.