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Disconnections definition

Figure 10.3-54 illustrates how the reaction center is derived from the disconnection of the strategic bond and which additional bond spheres are considered in the definition of the reaction substructure search queiy. [Pg.590]

The Definite Clause Grammar (DCG) formalism [7] is utilized throughout this project. Grammar rules are used in the expert system rules to recognize the general class of the parent molecule in the disconnection (c.y., cyclohexene). The class determines the patterns used to construct the resultant synthons (discussed in Section 4). [Pg.232]

After the hydrogenation has definitely finished the final reading of the hydrogen pressure is recorded and the excess of hydrogen is carefully bled off by opening the valve B. Only then is the bomb disconnected. The contents are filtered, the bomb is rinsed once or twice with the solvent. [Pg.204]

In parallel with these definitions and equations and their solutions, we wiU describe in this chapter some examples of important processes in the chemical engineering industry. This material wiU initially be completely disconnected fiom the equations, but eventually (by Chapter 12) we hope students will be able to relate the complexities of industrial practice to the simplicity of these basic equations. [Pg.21]

The earlier authors [9] have considered that (sB contributes to the rapid renormalization of the medium and also includes the asymptotic part of the liquid this implies that RsBD, the disconnected part (considering that the solute and the solvent motions are disconnected) of RsB contains the free motion of the solute and the full motion of the medium. The present formulation differs from the earlier one [9] in the definition of (sB. It is considered that (sB... [Pg.99]

The degenerate case of no hexagons for l = 0 must here be incorporated. The second partners of the disconnected benzoids are members of an auxiliary benzenoid class, viz. B(n, 2, — /) see the introductory definitions (Sect 1.1). For the pertinent K numbers it has been found [2, 9, 11]... [Pg.233]

The precise definition of the Hade potential needs a little more description. Thus, if an electrode containing a passive layer is allowed to float free (the potentiostat is disconnected) and its potential is measured and plotted against time, it will fall (become less positive) and then attain a plateau on the potential-time graph (Fig. 12.64). [Pg.208]

The neo classification divides all benzenoids into normal (n), essentially disconnected (e) and non-Kekuleans (o), where the n and e systems cover all the Kekuleans. Cyvin and Gutman [26] have advocated for this classification by saying From the point of view of the enumeration of Kekule structures the classification. . . [neo]. . . seems to be a rather appropriate one [94,87] . However, the distinction between Kekulean (closed-shell, non-radicalic) and non-Kekulean (radicalic) benzenoid hydrocarbons was made long before the explicit definition of the neo classification. This practice started with the first (substantial) enumeration of benzenoids in the chemical context by Balaban and Harary [13]. [Pg.125]

Essentially disconnected benzenoids are, by definition, the Kekulean benzenoids (with K > 0, A = 0) which are not normal. All of them are pericondensed. [Pg.130]

Corey s analysis to) of polycyclic systems and strategic bond disconnections directed by maximizing simplification of intermediates is an example of the definition of new heuristics for skeletal dissection ( 6). This analysis directs the selection of particular bonds for construction. His rules also derive in part from stereochemical considerations ( 7). A further treatment of rules for bond selection via stereochemistry would be valuable. [Pg.64]

If this protocol is applied to disconnect fragments 20 - 23, either carbon at the point of disconnection can be assigned as a donor (d) or an acceptor (a), giving four different possibilities. Disconnect products 20 and 21, for example, become 25 or 26 and 27 or 28, respectively. Fragments 25 - 28 are still not real molecules, and another step is required before the best donor-acceptor pair can be chosen each fragment must be correlated with a synthetic equivalent. Table 1.2 provides a list of common synthetic equivalents, leading to a modified definition of synthetic equivalent, which is a molecular fragment that is equivalent to a real molecule... [Pg.7]

IEC60364 Part 4 Chapter 41 makes reference to several important definitions regarding the design of the insulation within low voltage equipment, whether the equipment is portable or fixed, and the necessary disconnection time of the source protective device. These are summarised as follows -... [Pg.235]

Note that following the definitions given above, the transformation [3] - 4, [19] - 20 are not considered junctive because they are not accompanied by ab origine (ab initio) bonding between relevant nonbonded pairs of atoms, despite the fact they are accompanied by increased bonding between the already-bonded pairs of atoms. That is to say, in these transformations no unlinked atoms become newly linked (therefore, they are not junctive) there is, however, enhanced bonding between already-linked atoms. Similarly, the 4- [3] and 20- [19] transformations are not disjunctive because there is only diminished bonding there is no severance (total disconnection) between pairs of bonded atoms. [Pg.2]

In the definition of the GF (38), the singularities of the vacuum expectation appear only in the form of disconnected diagrams. For the GO, on the other hand, (quasi-) singularities can appear also for connected diagrams, when an intermediate state lies in the model space. We shall consider here two-electron systems, and we shall see how these singularities can be eliminated. [Pg.106]


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See also in sourсe #XX -- [ Pg.827 ]




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