System synthesis atomic level

The x-ray crystallographic analysis of protein structures is a remarkably successful technique. Since the publication of the first protein structure, that of myoglobin in 1958, many other protein structures have been determined. The resulting structural details often approaching atomic level have led to great insights into enzyme catalysis, hormone function, the organisation of the immune system, the molecular architecture of virus particles and protein synthesis. Why then should such an apparently successful technique need synchrotron radiation ... 

The theory of atoms in molecules192 recovers all the fundamental concepts of chemistry, of atoms and functional groups with characteristic properties, of bonds, of molecular structure and structural stability, and of electron pairs and their role in molecular geometry and reactivity. The atomic principle of stationary action extends the predictions of quantum mechanics to the atomic constituents of all matter, the proper open systems of quantum mechanics. All facets of the theory are predictive and, as a consequence, the theory can be employed in many fields of research at the atomic level, from the design and synthesis of new drugs and catalysts, to the understanding and prediction of the properties of alloys. 

A number of oxides can be modeled by vacuum-grown thin oxide films and oxide nanoparticles which are amenable to atomic level characterization with the application of surface-sensitive (surface science) methods. This is crucial for the advancement of the field because in many cases oxide surfaces are not simple truncations of the bulk oxide structure. Defects such as oxygen vacancies, despite being minority surface species, play an important role in the catalytic properties of an oxide surface. In this chapter, we have presented results on the synthesis, characterization and catalytic properties of Ga Oj, In Oj, and V Oj, Nb Oj, Pd O and PdO vacuum-grown thin oxide films and oxide nanoparticles. The catalytic activity of the model systems can be examined at atmospheric pressure and compared to those... 

The isomorphous substitution of T atoms by other elements produces novel hybrid atom molecular sieves with interesting properties. In the early 1980s, the synthesis of a zeolite material where titanium was included in the MFI framework of silicalite, that is, in the aluminum-free form of ZSM-5, was reported. The name given to the obtained material was titanium silicalite (TS-1) [27], This material was synthesized in a tetrapropylammonium hydroxide (TPAOH) system substantially free of metal cations. A material containing low levels (up to about 2.5 atom %) of titanium substituted into the tetrahedral positions of the MFI framework of silicalite was obtained [28], TS-1 has been shown to be a very good oxidation catalyst, mainly in combination with a peroxide, and is currently in commercial use. It is used in epoxidations and related reactions. TS-1, additionally an active and selective catalyst, is the first genuine Ti-containing microporous crystalline material. 

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