Orientation analysis

Figure 3 Classification of detection for various orientation - analysis of the influence of the use of filters (figure 4) ...

Polarization effects are another feature of Raman spectroscopy that improves the assignment of bands and enables the determination of molecular orientation. Analysis of the polarized and non-polarized bands of isotropic phases enables determination of the symmetry of the respective vibrations. For aligned molecules in crystals or at surfaces it is possible to measure the dependence of up to six independent Raman spectra on the polarization and direction of propagation of incident and scattered light relative to the molecular or crystal axes. 

The aim of orientation analysis is not only the quantitative description of orientation, but also the separation of orientational effects from topological ones - ultimately meaning the desmearing of imperfect orientation in order to reconstruct the scattering pattern of the perfectly oriented structural entities. 

On a larger scale, more-complex models can be used to represent the types of whole systems or components and are usually shown pictorially. In an abstract model, the attributes and their types are chosen to help specify the operations on the component as a whole and, according to good object-oriented analysis practice, are based on a model of the domain. However, anyone who has been involved in practical OOD is aware that the design phase introduces all sorts of extra classes as patterns are applied to help generalize the design, make it more efficient, distribute the design, provide persistence or a GUI, and so on. But we can still retrieve the abstract model from any tme implementation in the same way as for the simpler models. 

Booch95] Booch, G 1995. Object-Oriented Analysis and Design with Applications, Second Edition. Menlo Park, CA Benjamin Cummings. 

D Souza94] D Souza, D. 1994. OMT Model Integration. Report on Object-Oriented Analysis and Design, September. See also URL http //www.iconcomp.com/papers/ omt4-model-integr/OMT4ModelIntegration.frm.html. 

Larman97] Larman, C. 1997. Applying UML and Patterns An Approach to Object-Oriented Analysis and Design. Englewood Cliffs, N.J. Prentice Hall. 

Use case specifications document functional requirements. The next step is to design the partial system that the current iteration is supposed to deliver. The gap between requirements and design is not trivial, and a bridge between the two is desired. This bridge is what object-oriented analysis is about. The domain analysis object model is not the final design. However, it provides a starting point for the design process. 

Hundreds of books are in the marketplace about object-oriented analysis, design, and programming. A handful of books are about cheminformatics. But no book exists about how to apply object technology to the cheminformatics domain. This book is an attempt to fill that gap. 

This book assumes the reader has basic knowledge of object-oriented analysis, design and programming, UML, Java, and concepts of chemical registration and searching. 

U. Kirsch Design-Oriented Analysis of Structures. A Unified Approach. 2002... 

Fan, L. T., Shieh, J. H., Shimizu, Y. and Chiu, S. Y., "Thermodynamically-Oriented Analysis and Synthesis of a Process System - HYGAS Process," AIChE Annual Meeting,... 

Application of photo-electric cell to the measurement of pebble axes for orientation analysis. Ibid., 9 122-130. 

Shlaer-McUor Object-Oriented Analysis for batch control... 

G. Booch, Object-oriented analysis and design with applications, Addison-Wesley, 2nd ed., 1994. 

For photo-orientation analysis of actual data. Equation 3.10 must be combined with Equations 3.1 and 3.2. The time-evolution simulation (see... 

So, when photo-orientation analysis is not performed at the irradiation wavelength, the order parameter at infinite irradiation intensity of spectrally overlapping isomers reads ... 

Activity changes for non-energy production sectors were defined based on results of bottom-up, market-oriented analysis. Production growth in these sectors is more dynamic and could reach yearly rates higher than 20% (see Figure 12.3). Future activities estimates were based on the current sector situation, market conditions and assessment of development potential. Wide consultations with sectors were performed. 

A health risk assessment (HRA) is a compliance-oriented analysis that examines the risk to a set of stylized receptors (e.g., the subsistence fisherman) associated with routine releases (intended to be conservative upper bounds... 

T. Rog, K. Murzyn, K. Hinsen G.R. Kneller (2003). J. Comp. Chem., 24, 657-667. nMoldyn A program package for a neutron scattering oriented analysis of molecular dynamics simulations. 

NEXAFS orientation analysis can also be applied to polymer semiconductors, hi this example, films of regioregular and regiorandom P3HT were spin-coated from chloroform to approximately 20 mn atop the native oxide of silicon, then melted at 250°C and slowly cooled under vacuum. NEXAFS carbon K-edge spectra were collected at the same conditions as for pentacene. The resultant spectra are shown in Figure 4.2.7(a-b). 

Figure 11. Grain orientation analysis of an 18th-century English looking-glass frame. Grain axis of ejfective support frame is indicated by arrows.

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