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Cyclic crystal

In order to become acquainted with the resolvent technique, and the use of projection operators, we re-examine the problem treated in 1.1. In doing so, we employ the cyclic crystal, which lends itself well to modelling a noninteracting (or unperturbed) substrate (Davison and Styslicka 1996). [Pg.28]

In (2.43), p must be small, because a cyclic crystal supports only delocalized states, so the poles at X / X° are located close to the unit-circle contour. This observation is connected with the notion of complex energy ( 3.2), since, for p small, (2.43) in (1.18) ... [Pg.30]

Fig. 2.1. Atom (A) and cyclic crystal (C) before and after interaction. Fig. 2.1. Atom (A) and cyclic crystal (C) before and after interaction.
In the regions intermediate between these limiting cases, normal modes of vibration "erode" at different rates and product distributions become sensitive to the precise conditions of the experiment. Intramolecular motions in different product molecules may remain coupled by "long-range forces even as the products are already otherwise quite separated" (Remade Levine, 1996, p. 51). These circumstances make possible a kind of temporal supramolecular chemistry. Its fundamental entities are "mobile structures that exist within certain temporal, energetic and concentration limits." When subjected to perturbations, these systems exhibit restorative behavior, as do traditional molecules, but unlike those molecules there is no single reference state—a single molecular structure, for example—for these systems. What we observe instead is a series of states that recur cyclically. "Crystals have extension because unit cells combine to fill space networks of interaction that define [dissipative structures] fill time in a quite... [Pg.155]

With control techniques such as fines destruction, the particle size distribution within a crystallizer body may be varied through relatively wide ranges by changing the velocity behind the baffle and hence, the diameter of the particle withdrawn. The quantity of liquor removed with the particle separated and its residence time within the crystallizer body is another important variable. Experience has shown that such systems, when pushed beyond their capacity, can produce cyclic crystal size behavior due to homogeneous nucleation that occurs as the supersaturation rises beyond the metastable limit. [Pg.122]

One of the main uses of these wet cells is to investigate surface electrochemistry [94, 95]. In these experiments, a single-crystal surface is prepared by UFIV teclmiqiies and then transferred into an electrochemical cell. An electrochemical reaction is then run and characterized using cyclic voltaimnetry, with the sample itself being one of the electrodes. In order to be sure that the electrochemical measurements all involved the same crystal face, for some experiments a single-crystal cube was actually oriented and polished on all six sides Following surface modification by electrochemistry, the sample is returned to UFIV for... [Pg.314]

This is a simplified formula for tartar emetic, for X-ray crystal analysis and infrared studies indicate that the. Sb is a part of the antimonate anion [Sb(OH)4] and forms part of a cyclic system. [Pg.115]

Jorgensen, W.L. Tirado-Rives, J. The OPLS potential functions for proteins. Energy minimizations for crystals of cyclic peptides and crambin. J. Am. Chem. Soc. 110 1657-1666, 1988... [Pg.106]

The spectra of pyrazolidinones have often been described (63PMH(2)161, 67BSF3502, 70CHE1568). In the l-aryl-3-pyrazolidones (79), both the r (CO) and r (NH) bands changed considerably between the crystal (cyclic dimer) and the solution spectra. Typical values for j (CO) range from 1700 to 1730 cm" in solution. For the l-aryl-5-pyrazolidones (80),... [Pg.200]

Many biochemical and biophysical studies of CAP-DNA complexes in solution have demonstrated that CAP induces a sharp bend in DNA upon binding. This was confirmed when the group of Thomas Steitz at Yale University determined the crystal structure of cyclic AMP-DNA complex to 3 A resolution. The CAP molecule comprises two identical polypeptide chains of 209 amino acid residues (Figure 8.24). Each chain is folded into two domains that have separate functions (Figure 8.24b). The larger N-terminal domain binds the allosteric effector molecule, cyclic AMP, and provides all the subunit interactions that form the dimer. The C-terminal domain contains the helix-tum-helix motif that binds DNA. [Pg.146]

The highly hindered alkene adamantylideneadamantane forms a bromonium ion which crystallizes as a tribromide salt. An X-ray crystal structure (Fig. 6.1) has confirmed the cyclic nature of the bromonium ion species. This particular bromonium ion does not react further because of extreme steric hindrance to back-side proach by bromide ion. [Pg.363]

A quite different structural motif is found in the curious cyclic hexamer [(BNMc2)6] which can be obtained as orange-red crystals by distilling the initial product formed by dehalogenation of (Me2N)2BCl with Na/K alloy ( >... [Pg.211]

A dramatic discovery in this area was made in 1996 when a dicopper-dioxygen adduct was found to have two isomeric forms which featured either a side-on bridging unit Cu(/r ), ) -02)-Cu) " or a cyclic (Cu(/r-0)2Cu) " core depending on whether it was crystallized from CH2CI2 or thf, respectively. The two forms could be readily interconverted by reversible 0-0 bond cleavage and reformation, the 0-0 distance being 141 pm and 229 pm in the two isomers.The... [Pg.619]


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See also in sourсe #XX -- [ Pg.27 ]




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