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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.
(The mixed basis sets are realised by introducing "ghost orbitals", basis set functions which have no electrons or protons. [2] It however has been shown that there is an inherent danger in using counterpoise corrected energy surfaces, due to the inconsistent effect of the correction in different areas of the energy surface. [3])
Other applications are the virtual screening of ligands in drug discovery, in silico mutagenesis studies [2] [3] and antibody affinity maturation. [4] For the study of reactions it is often necessary to involve a quantum-mechanical (QM) representation of the reaction center because the molecular mechanics (MM) force fields used for FEP ...
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.
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.
Vacancies occur naturally in all crystalline materials. At any given temperature, up to the melting point of the material, there is an equilibrium concentration (ratio of vacant lattice sites to those containing atoms). [2] At the melting point of some metals the ratio can be approximately 1:1000. [3] This temperature dependence can be modelled by
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".
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.