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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 ...
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.
Free-energy perturbation (FEP) is a method based on statistical mechanics that is used in computational chemistry for computing free-energy differences from molecular dynamics or Metropolis Monte Carlo simulations. The FEP method was introduced by Robert W. Zwanzig in 1954. [1]
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.
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].
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".
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.
[3] [7] The pump beam amplitude is modulated using an acousto-optic or electro-optic modulator on the order of 10 7 Hz. The pump and probe beams are then recombined using a dichroic beamsplitter and scanned using galvanometric mirrors for point-by-point image generation before being focused onto the sample. [3]