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Introduction to Structure-Property Correlations

Introduction to Structure-Property Correlations Fig. 2.8 LigPrep input screen... [Pg.103]

Mingos, D. M. P. (1998). Essential Trends in Inorganic Chemistry. New York Oxford University Press. A good introduction to structure and property correlations. [Pg.88]

Although crude petroleum contains small amounts of oxygen, nitrogen, and sulfur, its major constituents are hydrocarbons—compounds of carbon and hydrogen. Isolating individual hydrocarbon substances from petroleum mixtures is an industrial process of central importance. Moreover, it provides a fascinating story that illustrates how the structures of molecules determines the properties of substances and the behavior of those substances in particular processes. The next three sections present a brief introduction to this story, emphasizing the structure-property correlations. [Pg.277]

The introduction of new synthetic techniques has led to the discoveries of many new electronic materials with improved properties [20-22]. However, similar progress has not been forthcoming in the area of heterogeneous catalysis, despite the accumulation of considerable information regarding structure-reactivity correlations for such catalysts [14-19]. The synthetic challenge in this area stems from the complex and metastable nature of the most desirable catalytic structures. Thus, in order to minimize phase separation and destruction of the most efficient catalytic centers, low-temperature methods and complicated synthetic procedures are often required [1-4]. Similar challenges are faced in many other aspects of materials research and, in general, more practical synthetic methods are required to achieve controlled, facile assembly of complex nanostructured materials [5-11]. [Pg.71]

In Section 2 the general features of the electronic structure of supported metal nanoparticles are reviewed from both experimental and theoretical point of view. Section 3 gives an introduction to sample preparation. In Section 4 the size-dependent electronic properties of silver nanoparticles are presented as an illustrative example, while in Section 5 correlation is sought between the electronic structure and the catalytic properties of gold nanoparticles, with special emphasis on substrate-related issues. [Pg.78]

An approach similar to PC has been proposed by Mohihier et al. (MNM theory) Their basic idea was to treat the adsorbed layer as a two-component non-electrolyte solution called the surface solu-The field effect as well as any correlation to molecular or structural properties of the surface solution are missing from the original MNM theory. At this stage this theory differs a little from a curve fitting procedure. In subsequent papers the introduction of the field effect has been attempted following the TPC approach.Thus the MNM theory and its extensions do not offer a real alternative approach to the theoretical description of adsorption on electrodes. [Pg.138]

Kampf G (1986) Characterization of plastics by physical methods. Hanser, Munich Klopffer W (1984) Introduction to polymer spectroscopy. Springer, Berlin/Heidelberg/New York van Krevelen DW (1990) Properties of polymers, their estimation and correlation with chemical structure, 3rd edn. Elsevier, Amsterdam... [Pg.148]

Truong V-T (1992) Thermal degradation of polypyrrole effect of temperature and film thickness. Synth Met 52 33-44 Van Beusichem B, Ruberto MA (2005) Introduction to polymer additives and stabilization. A presentation to product quality research institute http //www.pqri.org/... /posters/Polymer Additives PQRI Poster.pdf Accessed 26 June 2011 Van Krevelen DW, Nijenhuis KT (2009) Properties of polymers. Their correlation with chemical structure their numerical estimation and prediction from additive group contributions, 4th edn. Elsevier, Amsterdam Wang Y, Rubner MF (1990) Stability studies of the electrical conductivity of various poly (3-alkylthiophenes). Synth Met 39 153-175... [Pg.264]


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Structure-property correlation

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