Conceptual framework

Modem photochemistry (IR, UV or VIS) is induced by coherent or incoherent radiative excitation processes [4, 5, 6 and 7]. The first step within a photochemical process is of course a preparation step within our conceptual framework, in which time-dependent states are generated that possibly show IVR. In an ideal scenario, energy from a laser would be deposited in a spatially localized, large amplitude vibrational motion of the reacting molecular system, which would then possibly lead to the cleavage of selected chemical bonds. This is basically the central idea behind the concepts for a mode selective chemistry , introduced in the late 1970s [127], and has continuously received much attention [10, 117. 122. 128. 129. 130. 131. 132. 133. 134... 

Nevertheless, chemists have been planning their reactions for more than a century now, and each day they run hundreds of thousands of reactions with high degrees of selectivity and yield. The secret to success lies in the fact that chemists can build on a vast body of experience accumulated over more than a hundred years of performing millions of chemical reactions under carefully controlled conditions. Series of experiments were analyzed for the essential features determining the course of a reaction, and models were built to order the observations into a conceptual framework that could be used to make predictions by analogy. Furthermore, careful experiments were planned to analyze the individual steps of a reaction so as to elucidate its mechanism. 

Model-driven approaches classify reactions according to a preconceived model, a conceptual framework. 

In this section, the conceptual framework of molecular orbital theory is developed. Applications are presented and problems are given and solved within qualitative and semi-empirical models of electronic structure. Ab Initio approaches to these same matters, whose solutions require the use of digital computers, are treated later in Section 6. Semi-empirical methods, most of which also require access to a computer, are treated in this section and in Appendix F. 

In this conceptual framework it is naturally impossible to simulate the effect of the interphases of complex structure on the composite properties. A different approach was proposed in [119-123], For fiber-filled systems the authors suggest a model including as its element a fiber coated with an infinite number of cylinders of radius r and thickness dr, each having a modulus Er of its own, defined by the following equation ... 

Some 50 years have now passed since the publication of a series of papers bearing the title The Nature of the Chemical Bond. 1 7 These papers have provided chemists, physicists, biologists, and mineralogists with the conceptual framework, based on simple valence bond theory and the theory of hybrid bond orbitals, required to investigate a myriad of problems involving the nature of the bonding exhibited in molecules and solids. The ideas contained in these papers were subsequently elaborated on in The Nature of the Chemical Bond which is probably the most often-cited book in the scientific literature.9... 

Taber, K. S. (1994, 10th September). Can Kelly s triads be used to elicit aspects of chemistry students conceptual frameworks . Paper presented at the British Educational Research Association Annual Conference. The text is available from the Education-line internet document collection at http //www.leeds.ac.uk/educol. 

Taber, K. S. (1998). An alternative conceptual framework from chemistry education. International Journal of Science Education, 20(5), 597-608. 

The single best source for quick and reasonably thorough access to the body of knowledge associated with computer ethics is Deborah Johnson s Computer Ethics (3rd edition, 2001). The first edition of that work [17], the first book listed under computer ethics in the Philosopher s Index, provides a conceptual framework for the issues of privacy, liability, ownership, and power. Despite its very early appearance in the short history of computer ethics, much of the analysis retains its value. 

A number of conceptual frameworks were set up for comparative analysis and synthesis of country data. These included spheres of regulation, historical development and stmcture-process-outcome of regulation. 

Aluminosilicate glasses are used in certain AB cement formulations, and the acid-base balance in them is important. The Bronsted-Lowry theory cannot be applied to these aluminosilicate glasses it does not recognize silica as an acid, because silica is an aprotic acid. However, for most purposes the Bronsted-Lowry theory is a suitable conceptual framework although not of universal application in AB cement theory. 

Clearly, within the conceptual framework described above, there is extensive room for exploration in creating fingerprints and similarity measures to retrieve molecules based on varying conceptions of similarity [42—441. The simplest types of fingerprint consist simply of features indices that map the presence or absence of a small library of functional groups. The most well known and effective are the MACCS keys. These were initially chemical feature indices, that we later used successfully as a similarity metric. 

First it is worth taking the time to look at the conceptual framework behind creating statistical tables in SAS programming. Creating tables in a SAS program is a multiple-step process that remains independent of the SAS tools employed. These conceptual steps are as follows ... 

Schmidt I don t know whether I can answer the why question, but the how question has a conceptual framework to build it around. What you are looking for is some kind of phosphorylation target of cyclin B that is a non-cell cycle functioning receptor. You are looking for some cell cycle receptor sitting in the membrane that cyclin B goes over to, puts the phosphate on, activates it and says now I am receptive . 

The US Army, which for several years has had responsibilities for renovating contaminated tracts of land, has developed a conceptual framework that can accommodate a variety of decisionmaking processes and models to respond to the question, "How clean is clean " This approach focuses on determining acceptable pollutant residue levels as goals for remedial action. It recognizes that potential land use, courses of remedial action, the nature and extent of contamination, and the population at risk are all considerations that may affect those goals. 

Seuring, S., and Muller, M., 2008. From a literature review to a conceptual framework for sustainable supply chain management, Journal of Cleaner Production, 16, 1699-1720. 

Other types of branched peptide dendrimers, known as multiple antigen peptides (MAPs), have been synthesized to mimic proteins for applications, for instance as synthetic vaccines, serodiagnostics, peptide inhibitors and intracellular delivery vehicles. Since this concept has been recently described in detail elsewhere [11], only the conceptual framework will be briefly presented here. Tam and coworkers have developed a dendritic core based on lysine units for the construction of MAPs [12-15] (Fig. 3). Carrying antigens at their periphery these MAPs have been designed to increase antigenicity and immunogenicity of peptides. 

From Sect. 2.8.6, it is clear that FEP calculations for many systems of practical interest are expected to be computationally very demanding. It is, thus, important to develop numerical techniques that allow us to apply the theory outlined so far in an efficient manner. If properly used, these techniques make calculations better in every sense - i.e., they improve both their accuracy and efficiency. It is, therefore, highly recommended that they be employed in practical applications of FEP. Chapter 6 is devoted entirely to this topic. Here, we only give the reader a preview of a few issues that will be covered in that chapter. In addition, we will discuss two other promising techniques that fall outside the conceptual framework developed in Chap. 6. 

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