Selection, organic molecules

Table 17.3 Some electronic transitions in selected organic molecules...

Zielke RC, Pinnavaia TJ, Mortland MM (1989) Adsorption and reactions of selected organic molecules on clay mineral surfaces. In Sawhney BL, Brown K (eds) Reactions and movement of organic chemicals in soils. Soil Science Society of America, Madison, WI, pp 81-97... 

Table 2.4 Recommended R—bond dissociation enthalpies for some selected organic molecules (kJ/mol) ...

Figure 25.1 Selected organic molecules discussed in the course of this chapter. Special attention is drawn to tetracene and diindenoperylene both representing different classes of PAHs, viz. oligoacenes and perylene-derivatives, which are of great interest for organic electronic applications.

Table 9.1 Bond Strengths of Selected Organic Molecules ...

Brewer, W. S. and F. K. Pfaender. 1979. The distribution of selected organic molecules in freshwater sediment. Water Res. 13 237-240. 

In this section, the results of representative ab initio calculations on large molecules and ions are discussed. Calculations on selected inorganic systems are presented first, followed by those on large carbon clusters and their derivatives, and selected organic molecules. Applications to extended systems conclude the presentation. 

The validation of the prediction equation is its performance in predicting properties of molecules that were not included in the parameterization set. Equations that do well on the parameterization set may perform poorly for other molecules for several different reasons. One mistake is using a limited selection of molecules in the parameterization set. For example, an equation parameterized with organic molecules may perform very poorly when predicting the properties of inorganic molecules. Another mistake is having nearly as many fitted parameters as molecules in the test set, thus fitting to anomalies in the data rather than physical trends. 

Of all synthetic operations hydrogenation of organic molecules is probably the most highly developed. Knowledge of selectivities is comparably far advanced. 

HyperChem displays the electrostatic potential as a contour plot when you select the appropriate option in the Contour Plot dialog box. Choose the values for the starting contour and the contour increment so that you can observe the minimum (typically about -0.5 for polar organic molecules) and so that the zero potential line appears. 

Some of the analytical methods utilize highly selective and sensitive detection techniques for specific functional groups of atoms in compounds, whereas others respond in a more universal manner, i.e., to the number of carbon atoms present in the organic molecule.- ... 

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