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As the atoms of interacting molecules (or of different parts of the same molecule - intramolecular BSSE) [1] [2] approach one another, their basis functions overlap. Each monomer "borrows" functions from other nearby components, effectively increasing its basis set and improving the calculation of derived properties such as energy . [ 3 ]
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.
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]
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".
For large molecules, the R-factor usually ranges between 0.6 (when computed for a random model and against an experimental data set) and 0.2 (for example for a well refined macro-molecular model at a resolution of 2.5 Ångström).
Any experiment performing anywhere in the universe has its surroundings, from which we cannot eliminate our system. The study of environmental effects has primary advantage of being able us to justify the fact that environment has impact on experiments and feasible environment will not only rectify our result but also amplify it.
the specific rotation of (S)-2-ethyl-2-methyl succinic acid is found to be dependent on concentration in what is known as the Horeau effect [ 3 ] the relationship between mole based ee and optical rotation based ee can be non-linear i.d. in the succinic acid example the optical activity at 50% ee is lower than expected.