Interactive Features

The NIST ASD database has been designed to handle various user needs, and thus it provides many different display and output options. Users may precisely specify their queries to focus on the specific data they are interested in, possibly in several successive steps. 

The various options and search criteria are clearly listed in several introductory front pages and they are discussed in a general information section, where also other special features of the database are reviewed. In addition, this section includes a short compendium on atomic spectroscopy, which contains the basic physics, formulas and conversion factors in atomic spectroscopy, as well as a discussion of spectroscopic notations. 

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Using the interact feature of ISIM, make an additional charge to the still at... 

There are four naturally occurring isotopes of Ra " " Ra (ti/2 = 5.8 a) and " Ra (3.7 d) in the Th series, (1600 a) in the series, and Ra (11.7 d) in the series (Table 1). The data for Ra are more limited, since it is generally present in low concentrations due to the low abundance of The differences in half lives and the connections across the different decay series have been used to infer a variety of groundwater and water-rock interaction features. For the short-lived Ra isotopes, the dominant input term to groundwater is recoil, rather than weathering, and steady state concentrations are often achieved (see Section 2.2). 

The non-binary all feature combination of the 3D fingerprint and interaction feature was able to retrieve -90% of the actives on screening 20% of the database. The Ochiai coefficient was slightly better than Tanimoto and significantly better than Dice and Hamming in retrieving actives. All features for the enzyme... 

It is, furthermore, possible to interpret the latent vectors t or u. The latent vectors have got scores for each object, as in factor analysis. These scores can be used to display the objects. Another possibility is to compute the correlation between original features and the latent vectors to assess the kind of interacting features for both data sets. 

Provision of additional, interactive web-based information. As more companies move to e-reporting or hybrid reporting (in which a hard copy report is supplemented by additional information on the company s website), they are able to provide interactive features that allow the user to customize information to suit their needs. For example, Novo Nordisk (an international pharmaceutical company) produces an electronic report that includes a section titled Interactive charts. Here, users can generate custom data charts for various social and environmental indicators either by site or by year. 

Table 1 shows the comparison of ice VIII and ice Vlll-Iike structures notice that the instability of the ice VIII structure is not apparent from the hydrogen bond BCP data as the values are similar for both structures. The difference is very apparent in the O—O BCP data, especially in the values of the ellipticity s, for the F and F-like, G and G-like BCPs. The F and G O—O interactions feature very prominently in the zone centre modes with symmetry coordinates Vtx, V/rEg and v/zAi [16]. 

Fig. 12.2. Lewis (left) and optimized structure (right) of a hydrogen-bonded model complex with interaction features as present in rotaxanes.

Interactivity. In VR, interactivity is not only limited to navigation, but it also includes the manipulation of a virtual scene or virtual objects. For that reason, a VR-based post-processing should by definition provide functionalities for interactive feature extraction and for variation of visualization parameters, thus inherently supporting the trial-and-error procedure in an explorative analysis. 

Table 5. Interaction features of the hydrogen bonded uracil and 2TU base pairs (values in kcal/mol).

Table 8 collects the information on the interaction features of the Watson-Crick A-U and A-thiouracils base pairs. As follows from its last column, the total energies of the A-U and A-2TU base pairs after ZPVE correction are nearly identical and differ from each other by 0.4 kcal/mol. In this Table we separate the deformation energies of adenine and uracil or thiouracil under the corresponding base pairing. We find then that both uracil and thioracils experience more substantial deformations compared to adenine. These deformations are also indicated in Figures 6 and 7. 

Fig. 8 Functions associated with protein-protein interactions featuring hot spots on (a) one helical face, (b) two helical faces, and (c) three helical faces (Reprinted with permission from Bullock et al. [67], Copyright (2011) American Chemical Society)...

Wigner s theory is most useful for studying cases of Rydberg series of interacting features in which an intruder appears. There are several distinct effects in the spectra of interacting resonances which result from perturbations, and are readily described by K-matrix theory. We first list them, and then discuss each one in turn. 

Fig. 29 B H interactions featuring (left) the BX2

A Linear Intersecting Vane Machine test device has been designed to allow simplified testing of vane interaction features. 

To further our understanding of interaction between the heme isopropionate side chains and the solvent, the kinetic energy relaxation of the excited heme in Mb was simulated in various solvents, including normal water (HjO), heavy water (D2O), normal glycerol (Gly-hg), deuterated glycerol (Gly-dg), and a nonpolar solvent. Two forms of the heme, one native and one lacking acidic side chains, were employed in the simulations which, together with different solvents, provided various interaction feature between the heme and the environment [55]. 

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