Results and their Interpretation

The strongest correlations found link descriptors that are associated with the polarities and the shapes of the molecules that form co-crystals with each other (Table 5.1)  

Dipole moment is the molecular dipole moment in Debyes. Our original analysis was based on dipole moments calculated from Gasteiger-Hiickel point charges and the experimentally observed molecular geometries. Later tests showed that dipole moments from geometry optimised AMI wave functions give virtually the same statistical results. 

SjM Descriptors S, L and M were taken from the box model of crystal packing. They are obtained by aligning the molecule so that its principal axes of inertia are parallel to the x, y and z axes of the Cartesian coordinate system. The van der Waals volume of the moleeule is then enclosed by a rectangular box with axes along the x, y and z directions. 

Highest descriptor correlations in the co-crystal data set. Only correlations calculated for the same descriptor of both molecules in a co-crystal are given. Descriptors are defined in the text. 

Descriptor P r Median Difference Difference 9 th decile Median Dijf. in Random Pairs 9th Decile of Diff. in Random Pairs 

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Widespread concern with the significance of the results and their interpretation Ruggedness and reliability problems with equipment Concern with intrinsic safety of equipment... 

Two studies have been made of the reductions of NH2OH and its analogues by Cr(ri) perchlorate which dilfer seriously both as regards the results and their interpretation. The results of both studies are combined in Table 22. Wells and Salam find NH2OH and N2H4 to be much more reactive towards Cr(II) than do Taube et (who find no reaction with N2H4 in 24 h at 25 °C). 

In this paper we shall summarize some recent research on reaction kinetics for simple NO and NH3 reactions. More detailed descriptions of these results and their interpretation can be found in References 1-8. 

The bonding of H atoms in amorphous Si has received considerable attention, with review articles summarizing the experimental results and their interpretation in terms of local bonding groups by Cardona (1983) and by Lucovsky and Pollard (1984). The result that is pertinent here... 

In this section, we present XPS results [48,49] which are highly relevant to the physics of this cluster system. These results and their interpretation are in sharp disagreement with photoemission results on AU55 reported recently [47]. Both our results and those of Quinten et al. will be discussed in connection with the XPS data reported on smaller gold cluster compounds [76,153] and on bare gold clusters supported on poorly conducting substrates [74,75],... 

Based on given experimental results and their interpretation the following conclusions on photosubstitution reactions of tetrapyrrole complexes can be drawn ... 

However, the communication challenge of results below the limit of detection is not quite so easily resolved. Each environmental-monitoring technique, including those of biomonitoring, has a limit in the amount of a chemical that it can reliably and validly measure in a given matrix. Below that limit, it is impossible to tell how much of the substance, if any, is in the sample. Experience with or modification of the technique or invention of a new one can lower the detection limit eventually, but in the short run it is fixed. That is one reason, when multiple biomonitoring methods are available, that the method chosen can have an appreciable effect on the results and their interpretation (Helsel 1990, cited by Bates et al. 2005). 

The results and their interpretation are comparable with other published results (for instance [HOPKE et al., 1976 VAN ESPEN and ADAMS, 1983 KEIDING et al., 1986 VONG, 1993]), but this is only a plausible explanation of a mathematical hypothesis. The graphical representation of the computed factor scores can verify this hypothesis. As demonstrated in the literature [EINAX and DANZER, 1989], representation of the scores of the main factors enables complete territorial separation of the investigated emission impact monitoring raster screens but only a relatively fuzzy temporal separation. 

Table 2 shows the comparisons made and the probability that the difference between the sets of data would occur if the sets were actually from the same population. The results and their interpretations follow ... 

The goal of this chapter is to consider the difficulties of comparing results from different laboratories, to point out agreement and disagreement in results and their interpretation, to discuss mechanism(s), to raise questions, and to summarise the present position. Because of the great extent of the literature and the speed with which it grows, we may have inadvertently missed some important papers if we have, we apologise. 

Molecular mechanics is a purely interpolative approach. Therefore, full details of the force field have to be presented together with the results and their interpretation, in order to allow the reader to fully reproduce them. These include the functional forms of the potentials, the parameter sets that have been used for the computations, the data for which they were derived and the data for which they were validated [522l Guidelines for the publication of research results from force field calculations have been published[5 3). 

Now, we will describe in some detail experimental results and their interpretation for the Ag-0/Al2C>3 system in the range of P02 from 10 12 to 105 Pa, in which no complications arise from interfacial reactions or from oxidation of Ag. 

In the case of some newer agents, e.g., 5-azacytidine50 (55), there are still many discrepancies concerning the results and their interpretation. This potent antimetabolite of cytidine shows many different types of activities, including incorporation into RNA and DNA and powerful inhibitory action on protein synthesis. It has not been possible so far to correlate these effects and their timing51 and to determine the most significant sites and mechanisms of action of this antimetabolite. 

In both cases, the driving force for the reactions to take place easily is the high initial energy content of the thiaziridine three-membered strained system. Similar results (and their interpretation) were obtained with the analogous more stable thermodynamically thiadiaziridine-1,1-dioxide system <77CB1780>. 

These experimental results and their interpretations clearly showed that the study of the diffracted intensity makes it possible to accurately determine the nature and the positions of the atoms inside the crystal cell. Nevertheless, the link between stmctural arrangement and the value of the total diffracted intensity was not proven. This aspect will be studied in detail by Darwin, who showed in two famous articles [DAR 14a, DAR 14b] that, on the one hand, the intensity is not concentrated in one point (defined by the Laue relations), but that there is a certain intensity distribution around this maximum (referred to as the Darwin width) and, on the other hand, that real crystals show a certain mosaicity that can account for the values of the diffracted intensity measured experimentally. These considerations were based on a description similar to that used for visible light in optics and constituted a preamble to the dynamic theory of X-ray diffractiort, the core ideas of which were later established by Ewald [EWA 16a, EWA 16b]. 

IV. EXPERIMENTAL RESULTS AND THEIR INTERPRETATION A. Total Cross Sections... 

It is natural that differences of opinion will arise amongst the chemists who study reaction mechanisms. Organomagnesitmi compounds are no exception. Disagreements about experimental results and their interpretation should, however, be welcomed since they often serve as a stimulus, to increase the efforts directed towards the subject. 

Figure 12 shows preliminary results that have been obtained for the microcanonical rate k(E) (Eq. (8)) as a function of energy E, compared to the experimental values. Though individual features do not match up one-for-one—which is quite beyond the accuracy of the present potential energy surface—the density and widths of the resonance features are in quite good agreement with each other. The calculations definitely lend credence to the validity of the experimental results and their interpretation as metastable resonance structure. 

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