Binding energy continued

Our group has continued to examine several other rare Rg- XY systems, and a list of the experimental and theoretical T-shaped and linear binding energies of these complexes is presented in Table 1 [52-55,57]. The general features and characteristics of the spectra for all of the complexes investigated are similar to those observed in the spectra for the He ICl and He Br2 systems. The linear features are observed to higher transition energies than the T-shaped features. In contrast to the rather simple rotational structure of the T-shaped features, the linear features possess much broader and structured... 

The ability to detect discrete rovibronic spectral features attributed to transitions of two distinct conformers of the ground-state Rg XY complexes and to monitor changing populations as the expansion conditions are manipulated offered an opportunity to evaluate the concept of a thermodynamic equilibrium between the conformers within a supersonic expansion. Since continued changes in the relative intensities of the T-shaped and linear features was observed up to at least Z = 41 [41], the populations of the conformers of the He - lCl and He Br2 complexes are not kinetically trapped within a narrow region close to the nozzle orifice. We implemented a simple thermodynamic model that uses the ratios of the peak intensities of the conformer bands with changing temperature in the expansion to obtain experimental estimates of the relative binding energies of these complexes [39, 41]. 

Figure 2. Left equilibrium geometries of the two lowest energy isomeric states of Au clusters obtained using LDA or GGA scalar relativistic pseudo-potentials. The ground state is Au for GGA and Auj for LDA (except for n=6, which LDA structure is also Aue). Right difference in the binding energy per atom of the planar and 3D structures given in the left panel for neutral gold clusters with 6

Small metal particles reveal a not fully developed valence band (they have a system of discrete levels rather than a quasi-continuous metallic-like band), which effect influences the binding energy as determined by XPS and might be, in principle, important also for chemisorption and catalysis (99, 100). 

Protein engineering (continued) differential and uniform binding energy changes 438,439 dissection of catalytic triad of serine proteases 450-452 domain structure analysis... 

There are no data in the literature on the solubility or stability of pollucite, so it is difficult to predict whether r not the solutions would be over-saturated by this phase at Cs < 10 1 mol dm 3. No pollucite was observed under these conditions, over the relatively short (14 days) reaction times at 200 C. Experiments are continuing to elucidate this question using XPS to look for the unique binding energy of Al(2p) ( 76.1 eV) of pollucite on the mineral surfaces, and hence provide information relevant to more realistic possible near-field conditions. 

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