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Figure Bl.4.9. Top rotation-tunnelling hyperfine structure in one of the flipping inodes of (020)3 near 3 THz. The small splittings seen in the Q-branch transitions are induced by the bound-free hydrogen atom tiiimelling by the water monomers. Bottom the low-frequency torsional mode structure of the water duner spectrum, includmg a detailed comparison of theoretical calculations of the dynamics with those observed experimentally [ ]. The symbols next to the arrows depict the parallel (A k= 0) versus perpendicular (A = 1) nature of the selection rules in the pseudorotation manifold. Figure Bl.4.9. Top rotation-tunnelling hyperfine structure in one of the flipping inodes of (020)3 near 3 THz. The small splittings seen in the Q-branch transitions are induced by the bound-free hydrogen atom tiiimelling by the water monomers. Bottom the low-frequency torsional mode structure of the water duner spectrum, includmg a detailed comparison of theoretical calculations of the dynamics with those observed experimentally [ ]. The symbols next to the arrows depict the parallel (A k= 0) versus perpendicular (A = 1) nature of the selection rules in the pseudorotation manifold.
Baer M, Faubel M, Martinez-Haya B, Rusin L Y, Tappe U and Toennies J P 1998 A study of state-to-state differential state cross-sections for the F + 02(0.= 0,jl) —> DF(u y ) + D reactions a detailed comparison between experimental and three dimensional quantum mechanical results J. Chem. Phys. 108 9694... [Pg.2328]

However, before going into a detail comparison between the two types of matrices it is important to remind the reader what the elements of the matrix look like. By employing Eqs (2.18) and (2.28) of [109b] it can be shown that... [Pg.686]

A detailed comparison of spectral data concluded that bora2iae has a delocali2ed TT-electron system like that of ben2ene (112) other workers, however, have concluded from spia-coupled calculations that bora2iae has Htde aromatic stabili2ation as compared to ben2ene (113). [Pg.266]

Symposium on Toxicology, Carcinogenesis, and Human Health Effects of 1,3-Butadiene (265). Detailed comparisons of various personal monitoring devices are available (266), and control of occupational exposure to 1,3-butadiene has been reviewed (267). ... [Pg.349]

Compared to EDS, which uses 10-100 keV electrons, PEXE provides orders-of-magnitude improvement in the detection limits for trace elements. This is a consequence of the much reduced background associated with the deceleration of ions (called bremsstrahlun compared to that generated by the stopping of the electrons, and of the similarity of the cross sections for ioiuzing atoms by ions and electrons. Detailed comparison of PIXE with XRF showed that PDCE should be preferred for the analysis of thin samples, surfrce layers, and samples with limited amounts of materials. XRF is better (or bulk analysis and thick specimens because the somewhat shallow penetration of the ions (e.g., tens of pm for protons) limits the analytical volume in PIXE. [Pg.358]

The technology that competes with ion exchange in wastewater application is reverse osmosis (RO), therefor it is appropriate to make some comparisons. Direct cost comparisons are not straightforward, and requires comparison of some of the hidden cost parameters. Since there appear to be few detailed comparisons in the open literature, there exists the general impression that RO is more economical than ion exchange. Whereas this may be true in a number of applications, as a general rule this is not the case. [Pg.401]

The CDC-NIH document describes, in detail, the different uses of the different classes and types of BSCs and the type of protection (personnel, product, and environmental) each type provides. The document also provides a detailed comparison of filtration (air cleaning), airflow pattern (into the cabinet from the room or from the supply duct), and necessary performance tests (leak, velocity profile, differential pressure, etc.) for each type of BSC (see also Simons ). [Pg.991]

Kirwan, B. (1992). Human Error Identification in Reliability Assessment. Part 2 Detailed comparison of techniques. Applied Ergonomics 23(6), 371-381. [Pg.371]

Table 9 shows the PP MO results for this interesting series of highly strained three-membered cyclic molecules. Here a detailed comparison is possible with the best results of an all-electron study, including d functions10 (also reported in Table 9). An analysis of this table reveals how all trends in population analysis, both in charges and overlap populations, are the same in the AE + d and in the simple PP calculations, with very few and very minor exceptions. PP predicts a charge donation to the aliphatic groups, while AE predicts a withdrawal, mainly due to the availability of d orbitals on sulphur, which can allocate extra electronic charge. As outlined in the general notes on population analysis (Section III.D) comparisons should be carried out on a relative basis and,... Table 9 shows the PP MO results for this interesting series of highly strained three-membered cyclic molecules. Here a detailed comparison is possible with the best results of an all-electron study, including d functions10 (also reported in Table 9). An analysis of this table reveals how all trends in population analysis, both in charges and overlap populations, are the same in the AE + d and in the simple PP calculations, with very few and very minor exceptions. PP predicts a charge donation to the aliphatic groups, while AE predicts a withdrawal, mainly due to the availability of d orbitals on sulphur, which can allocate extra electronic charge. As outlined in the general notes on population analysis (Section III.D) comparisons should be carried out on a relative basis and,...
A very detailed comparison for every single step of the whole sequence (linking of a pyrazinone to the solid support, Diels-Alder reaction with acetylenic dienophile and cleavage of a formed pyridinone from the resin) was made between microwave irradiation and conventional heating conditions [115]. [Pg.295]

Single crystal X-ray structure analyses of analogously substituted adducts confirmed the applicability of this model. Adducts of the type EtaAl—E(Tms)3 and f-BuaAl—E(i-Pr)3 (E = P, As, Sb, Bi) were structurally characterized [50], allowing detailed comparisons of their solid state structural parameters. The trends observed for the average Al—C bond lengths and the C— Al—C bond angular sums are summarized in Figs. 5 and 6. [Pg.130]

The detailed comparison of a complex chromatogram containing a large nnmber of peaks, particularly when some of these peaks contain a nnmber of components. [Pg.230]

Bis(cyclopentadienyl) complexes are central to the organometallic chemistry of the early transition metals and feature in applications such as alkene polymerization chemistry. Parallels can be drawn between a porphyrin ligand and two cyclopentadienyl ligands, in that they both contribute a 2— formal charge and exert a considerable steric influence on other ligands in the same molecule. Several of the metalloporphyrin complexes discussed below have bis(cyclopentadienyl) counterparts, and authors in some ca.ses have drawn quite detailed comparisons, although these discussions will not be repeated here. [Pg.232]

A more detailed comparison of two of the surfaces at a higher energy, = 322 meV, is given in Table 3. This table compares... [Pg.193]

Green JA. The EDC value proposition to the pharmaceutical industry. A detailed comparison of EDC versus paper model costs for four different clinical research projects (Phase I-IIIb). Datatrak International, Inc., 2001. [Pg.629]

The STM postulated tunneling matrix element distribution P(A) oc 1 /A implies a weakly (logarithmically) time-dependent heat capacity. This was pointed out early on by Anderson et al. [8], while the first specific estimate appeared soon afterwards [93]. The heat capacity did indeed turn out time dependent however, its experimental measures are indirect, and so a detailed comparison with theory is difficult. Reviews on the subject can be found in Nittke et al. [99] and Pohl [95]. Here we discuss the A distribution dictated by the present theory, in the semiclassical limit, and evaluate the resulting time dependence of the specific heat. While this limit is adequate at long times, quantum effects are important at short times (this concerns the heat condictivity as well). The latter are discussed in Section VA. [Pg.138]


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Venturi loop reactor a detailed comparison

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