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Dynamical correlation is the correlation of the movement of electrons and is described under electron correlation dynamics [3] and also with the configuration interaction (CI) method. Static correlation is important for molecules where the ground state is well described only with more than one (nearly-)degenerate determinant.
Electron in the initial state is represented by a solid line, with an arrow indicating the spin of the particle e.g. pointing toward the vertex (→•). Electron in the final state is represented by a line, with an arrow indicating the spin of the particle e.g. pointing away from the vertex: (•→).
For the simplest AH 2 molecular system, Walsh produced the first angular correlation diagram by plotting the ab initio orbital energy curves for the canonical molecular orbitals while changing the bond angle from 90° to 180°. As the bond angle is distorted, the energy for each of the orbitals can be followed along the lines, allowing a quick ...
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Electrophysiology (from Greek ἥλεκτ, ēlektron, "amber" [see the etymology of "electron"]; φύσις, physis, "nature, origin"; and -λογία, -logia) is the branch of physiology that studies the electrical properties of biological cells and tissues.
In structural biology, as well as in virtually all sciences that produce three-dimensional data, the Fourier shell correlation (FSC) measures the normalised cross-correlation coefficient between two 3-dimensional volumes over corresponding shells in Fourier space (i.e., as a function of spatial frequency [1]).
In many metabolic reactions, a protein that acts as an electron carrier binds to an enzyme that acts as its reductase. After it receives an electron, it dissociates and then binds to the next enzyme that acts as its oxidase (i.e. an acceptor of the electron). These interactions between proteins are dependent on highly specific binding between ...
In structural biology, resolution can be broken down into 4 groups: (1) sub-atomic, when information about the electron density is obtained and quantum effects can be studied, (2) atomic, individual atoms are visible and an accurate three-dimensional model can be constructed, (3) helical, secondary structure, such as alpha helices and beta sheets; RNA helices (in ribosomes), (4) domain, no ...