Structure determination, experimental transmission electron

However, few parameters of this kind have so far been determined experimentally. Therefore, in heteroaromatic chemistry the quantitative investigation of reactivity remains a needed area of research. Also, being in a large measure of a formalized character, the equations obtained require a detailed analysis, which should reveal the peculiarities of transmission of electronic effects in various organic families, and allow understanding of the role played by the heteroatom in electronic effect transmission and the details of the subtle structure of interacting substituents. In this task, there is still an acute problem in quantifying the effect of solvent on the reactivity of heterocyclic compounds of different classes. 

Another study focusing on the comparison between theoretical and experimental densities is that of Tsirelson el al. on MgO.133 Here precise X-ray and high-energy transmission electron diffraction methods were used in the exploration of p and the electrostatic potential. The structure amplitudes were determined and their accuracy estimated using ab initio Hartree-Fock structure amplitudes. The model of electron density was adjusted to X-ray experimental structure amplitudes and those calculated by the Hartree-Fock model. The electrostatic potential, deformation density and V2p were calculated with this model. The CPs in both experimental and theoretical model electron densities were found and compared with those of procrystals from spherical atoms and ions. A disagreement concerning the type of CP at ( , 0) in the area of low,... 

Disregarding any detailed morphological models proposed for the lamellar crystals in semicrystalline polymers in the past half centiny, crystal imit cells in semicrys-talUne poisoners exactly obey the rules of classical crystallography, which consist of 7 crystal systems and 14 Bravais lattices (more precisely, there are only 6 crystal systems in polymer crystals, and the cubic system does not exist). Most of the unit cell determinations of the semicrystalline polymers rely on the wide-angle x-ray diffraction (waxd) experiments on oriented poisoner fibers and films. This is be-canse of small crystal sizes in polymers, which lead to a difficult experimental task to obtain single-crystal waxd results on semicrystalfine polymers. It is also possible to nse electron diffraction (ed) method in transmission electron microscopy (tern) to determine polymer lamellar crystal unit cell structures, dimensions, and symmetries. 

Values of the separation temperature for a series of poly (styrene-b-buta-diene-b-styrene) were determined by light transmission, calorimetry, and electron microscope observations (44). A comparison between these experimental and calculated values of TB is given in Table IV. Further evidence for the existence of such structured-unstructured transitions through rheological measurements will be given in a later section. 

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