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  2. Atomic orbital - Wikipedia

    en.wikipedia.org/wiki/Atomic_orbital

    1s, 2s, 2p, 3s, 3p, 4s, 3d, 4p, 5s, 4d, 5p, 6s, 4f, 5d, 6p, 7s, 5f, 6d, 7p The "periodic" nature of the filling of orbitals, as well as emergence of the s , p , d , and f "blocks", is more obvious if this order of filling is given in matrix form, with increasing principal quantum numbers starting the new rows ("periods") in the matrix.

  3. Basis set (chemistry) - Wikipedia

    en.wikipedia.org/wiki/Basis_set_(chemistry)

    Using cc-pVDZ, orbitals are [1s, 2s, 2p, 3s, 3s, 3p, 3p, 3d'] (where ' represents the added in polarisation orbitals), with 4 s orbitals (4 basis functions), 3 sets of p orbitals (3 × 3 = 9 basis functions), and 1 set of d orbitals (5 basis functions). Adding up the basis functions gives a total of 18 functions for Ar with the cc-pVDZ basis-set.

  4. Kainosymmetry - Wikipedia

    en.wikipedia.org/wiki/Kainosymmetry

    The four kainosymmetric orbital types filled among the known elements, one per row: 1s, 2p, 3d, 4f. Kainosymmetry (from Greek καινός "new") describes the first atomic orbital of each azimuthal quantum number (ℓ). Such orbitals include 1s, 2p, 3d, 4f, 5g, and so on. The term kainosymmetric was coined by Sergey Shchukarev .

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

    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.

  6. Molecular orbital diagram - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_diagram

    Two atomic orbitals in phase create a larger electron density, which leads to the σ orbital. If the two 1s orbitals are not in phase, a node between them causes a jump in energy, the σ* orbital. From the diagram you can deduce the bond order, how many bonds are formed between the two atoms. For this molecule it is equal to one.

  7. Radial distribution function - Wikipedia

    en.wikipedia.org/wiki/Radial_distribution_function

    The radial distribution function is an important measure because several key thermodynamic properties, such as potential energy and pressure can be calculated from it. For a 3-D system where particles interact via pairwise potentials, the potential energy of the system can be calculated as follows: [ 6 ]

  8. Electron configurations of the elements (data page) - Wikipedia

    en.wikipedia.org/wiki/Electron_configurations_of...

    However there are numerous exceptions; for example the lightest exception is chromium, which would be predicted to have the configuration 1s 2 2s 2 2p 6 3s 2 3p 6 3d 4 4s 2, written as [Ar] 3d 4 4s 2, but whose actual configuration given in the table below is [Ar] 3d 5 4s 1.

  9. Electron shell - Wikipedia

    en.wikipedia.org/wiki/Electron_shell

    For example, the first (K) shell has one subshell, called 1s; the second (L) shell has two subshells, called 2s and 2p; the third shell has 3s, 3p, and 3d; the fourth shell has 4s, 4p, 4d and 4f; the fifth shell has 5s, 5p, 5d, and 5f and can theoretically hold more in the 5g subshell that is not occupied in the ground-state electron ...