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  2. Molecular symmetry - Wikipedia

    en.wikipedia.org/wiki/Molecular_symmetry

    In chemistry, molecular symmetry describes the symmetry present in molecules and the classification of these molecules according to their symmetry. Molecular symmetry is a fundamental concept in chemistry, as it can be used to predict or explain many of a molecule's chemical properties , such as whether or not it has a dipole moment , as well ...

  3. List of character tables for chemically important 3D point groups

    en.wikipedia.org/wiki/List_of_character_tables...

    This lists the character tables for the more common molecular point groups used in the study of molecular symmetry. These tables are based on the group-theoretical treatment of the symmetry operations present in common molecules, and are useful in molecular spectroscopy and quantum chemistry. Information regarding the use of the tables, as well ...

  4. Symmetry element - Wikipedia

    en.wikipedia.org/wiki/Symmetry_element

    The set containing these operations form one of the symmetry groups of the object. The elements of this symmetry group should not be confused with the "symmetry element" itself. Loosely, a symmetry element is the geometric set of fixed points of a symmetry operation. For example, for rotation about an axis, the points on the axis do not move ...

  5. Laporte rule - Wikipedia

    en.wikipedia.org/wiki/Laporte_rule

    The Laporte rule is powerful because it applies to complexes that deviate from idealized O h symmetry. For example, the d-d transitions for [Cr(NH 3) 5 Cl] 2+ are weak (ε < 100) even though the complex is only of C 4v symmetry. [5] The Laporte rule helps explain the intense colors often observed for the tetrahedral complexes.

  6. Symmetry of diatomic molecules - Wikipedia

    en.wikipedia.org/wiki/Symmetry_of_diatomic_molecules

    Molecular symmetry in physics and chemistry describes the symmetry present in molecules and the classification of molecules according to their symmetry. Molecular symmetry is a fundamental concept in the application of quantum mechanics in physics and chemistry, for example, it can be used to predict or explain many of a molecule's properties, such as its dipole moment and its allowed ...

  7. Hermann–Mauguin notation - Wikipedia

    en.wikipedia.org/wiki/Hermann–Mauguin_notation

    For example, symbols P 6 m2 and P 6 2m denote two different space groups. This also applies to symbols of space groups with odd-order axes 3 and 3. The perpendicular symmetry elements can go along unit cell translations b and c or between them. Space groups P321 and P312 are examples of the former and the latter cases, respectively.

  8. Fixed points of isometry groups in Euclidean space - Wikipedia

    en.wikipedia.org/wiki/Fixed_points_of_isometry...

    In the case of a physical body, if for the symmetry not only the shape but also the density is taken into account, it applies to the centre of mass. If the set of fixed points of the symmetry group of an object is a singleton then the object has a specific centre of symmetry. The centroid and centre of mass, if defined, are this point.

  9. Full configuration interaction - Wikipedia

    en.wikipedia.org/wiki/Full_configuration_interaction

    It is a special case of the configuration interaction method in which all Slater determinants (or configuration state functions, CSFs) of the proper symmetry are included in the variational procedure (i.e., all Slater determinants obtained by exciting all possible electrons to all possible virtual orbitals, orbitals which are unoccupied in the electronic ground state configuration).