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  2. Basis set superposition error - Wikipedia

    en.wikipedia.org/wiki/Basis_set_superposition_error

    Each monomer "borrows" functions from other nearby components, effectively increasing its basis set and improving the calculation of derived properties such as energy. [3] If the total energy is minimised as a function of the system geometry, the short-range energies from the mixed basis sets must be compared with the long-range energies from ...

  3. Endomicroscopy - Wikipedia

    en.wikipedia.org/wiki/Endomicroscopy

    Endomicroscopy is a technique for obtaining histology-like images from inside the human body in real-time, [1] [2] [3] a process known as ‘optical biopsy’. [ 4 ] [ 5 ] It generally refers to fluorescence confocal microscopy , although multi-photon microscopy and optical coherence tomography have also been adapted for endoscopic use.

  4. Palladium (II,IV) fluoride - Wikipedia

    en.wikipedia.org/wiki/Palladium(II,IV)_fluoride

    It has the empirical formula PdF 3, but is better described as the mixed-valence compound palladium(II) hexafluoropalladate(IV), Pd II [Pd IV F 6], and is often written as Pd[PdF 6] or Pd 2 F 6. [ 1 ] [ 2 ]

  5. Palladium(II) fluoride - Wikipedia

    en.wikipedia.org/wiki/Palladium(II)_fluoride

    Like its lighter congener nickel(II) fluoride, PdF 2 adopts a rutile-type crystal structure, [2] [3] containing octahedrally coordinated palladium, which has the electronic configuration t 6 2g e 2 g. This configuration causes PdF 2 to be paramagnetic [4] due to two unpaired electrons, one in each e g-symmetry orbital of palladium.

  6. Confocal endoscopy - Wikipedia

    en.wikipedia.org/wiki/Confocal_endoscopy

    Confocal endoscopy, or confocal laser endomicroscopy (CLE), is a modern imaging technique that allows the examination of real-time microscopic and histological features inside the body. In the word "endomicroscopy", endo- means "within" and -skopein means "to view or observe".

  7. List of unsolved problems in chemistry - Wikipedia

    en.wikipedia.org/wiki/List_of_unsolved_problems...

    This is a list of unsolved problems in chemistry. Problems in chemistry are considered unsolved when an expert in the field considers it unsolved or when several experts in the field disagree about a solution to a problem.

  8. Vacancy defect - Wikipedia

    en.wikipedia.org/wiki/Vacancy_defect

    In most applications vacancy defects are irrelevant to the intended purpose of a material, as they are either too few or spaced throughout a multi-dimensional space in such a way that force or charge can move around the vacancy [dubious – discuss].

  9. Spin contamination - Wikipedia

    en.wikipedia.org/wiki/Spin_contamination

    In computational chemistry, spin contamination is the artificial mixing of different electronic spin-states.This can occur when an approximate orbital-based wave function is represented in an unrestricted form – that is, when the spatial parts of α and β spin-orbitals are permitted to differ.