Configuration means

Before moving on to discuss metliods that go beyond the single-configuration mean-field model, it is important to examine some of the computational effort that goes into carrying out an SCE calculation. 

Technically, Moore proved that a CA is surjective if and only if the restriction of its global map to finite configurations is injective, where a finite configuration means that only finitely many sites of the lattice are non-quiescent. 

Porous supported alumina membrane tube (in double pipe configuration), mean pore diameter 40 A. Feed enters the reactor at tube side, permeate at shell side. 

The term quantization or quantum configuration means here the kind of subdivision of the electronic system into definite groups (quanticules). For instance, Na+Cl- contains two mononuclear quanticules 1 2 and 1 2 3 , while H+ejH+ contains one binuclear quanticule e. See Fajans, K. Chimia 13, 349 (1959). Lithoprinted English translation at Ulrich s Book Store, Ann Arbor, Michigan. 

The single-configuration mean-field theories of electronic structure neglect correlations among the electrons. That is, in expressing the interaction of an electron at r... 

After the thermalization run, configuration sampling begins to obtain RDCF and coordination number distribution. Figure 11 shows one single system configuration, mean RDCF, coordination number distribution and configuration structure factor S(q) with an example. 

Ans. CD3 and H cis to each other in the polymer chain that is, they have erythro configuration with respect to each other. With Natta catalyst a high isotacticity index is expected. An alternative configuration would be threo (CD3 and H turns to each other). The observed erythro configuration means alkene insertion is cis. 

In the case of metals where the bonds are weak and the separation of their s and p orbitals is small, a virtually continuous band of levels occurs. Open-shell configurations mean that only part of the whole band will be occupied ... 

Table 2 summarizes orbital populations for both the actinide atoms and the donor oxygen atoms. The electron configurations for the ideal perfect ions which are defined for formal charges in these actinyl nitrates are [Rn] 5f6d for U(VI), [Rn] 5f 6d for Np(VI) and [Rn] 5f-6d for Pu(VI). Any variation in the orbital populations from those of the formal configurations means that to some extent there is some covalent bond formation. A significant changes in the orbital population is an increase in the number of An 5f, 6d electrons. 

Inversion of configuration means transformation of R to S (or vice versa) or erythro to threo (or vice versa) if one or more stereogenic centers is present in the cr-bonded hydrocarbyl ligand. 

Unless you are told otherwise, you may assume that a complete electron configuration means a configuration written in the second form, without the subscripts x, y, and 2. 

A cis configuration means that adjacent carbon atoms are on the same side of the double bond. The rigidity of the double bond freezes its conformation and, in the case of the cis isomer, causes the chain to bend and restricts the conformational freedom of the fatty acid. The more double bonds the chain has in the cis configuration, the less flexibility it has. When a chain has many cis bonds, it becomes quite curved in its most accessible conformations. For example, oleic acid has one double bond, and linoleic acid with two double bonds has a more pronounced bend. a-Linolenic acid, with three double bonds, favors a hooked shape. The effect of this is that in restricted environments, such as when fatty acids are part of a phospholipid in a lipid bilayer, or triglycerides in lipid droplets, cis bonds limit the ability of fatty acids to be closely packed, and therefore could affect the melting temperature of the membrane or of the fat. ... 

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