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Authority, motivation theory

A well defined theory of chemical reactions is required before analyzing solvent effects on this special type of solute. The transition state theory has had an enormous influence in the development of modern chemistry [32-37]. Quantum mechanical theories that go beyond the classical statistical mechanics theory of absolute rate have been developed by several authors [36,38,39], However, there are still compelling motivations to formulate an alternate approach to the quantum theory that goes beyond a theory of reaction rates. In this paper, a particular theory of chemical reactions is elaborated. In this theoretical scheme, solvent effects at the thermodynamic and quantum mechanical level can be treated with a fair degree of generality. The theory can be related to modern versions of the Marcus theory of electron transfer [19,40,41] but there is no... [Pg.284]

These prior works offered new motivation to several authors, whose purpose was to obtain adequate theories that would be able to match, at last, with simulation results. Huge efforts were made in this direction. Thus, in order to overcome the problem of thermodynamic consistency (or inconsistency), some attempts consisted in performing judicious interpolations between already existing nonconsistent IETs, while others were devoted to improve these last by introducing parameters to render them consistent [37]. This finding is the subject of what follows. [Pg.17]

There is no common set of insights we can draw from these novels and plays. The French moralists have, taken collectively, something like a theory of human motivation, and a relatively coherent view of the relation between emotion, cognition, and behavior. The authors I have discussed are so diverse that no similar construction can be imputed to them. [Pg.151]

All three areas will be addressed here. The application of classical density functional theory has led to some of the most important recent theoretical advances in SFE and these have been the subject of several authoritative review articles [10-16]. On the other hand, we know of no recent comprehensive review addressing theoretical approaches other than density functional theories (DFT) and the other two subject areas, particularly the last one, and it was this that motivated us to write this chapter. We hope that the somewhat broader coverage of molecular modeling research in SFE given in this chapter will be of benefit to researchers new to the field. We should mention that this Chapter is written from a perspective that is more strongly influenced by liquid-state statistical mechanics than by solid-state theory. The interests of the authors in the problem at hand are an outgrowth of their previous work on phase equilibrium in fluids and fluid mixtures. [Pg.115]

The performance of absolute asymmetric polymerization demands the generation of crystals with specific crystallographic motives. In the absence of a general theory of crystal packing, the discovery of crystalline motifs required to perform such reactions was achieved generally by using mix and try methods. The present authors approach to the problem comprised, first, an outline of the requirements... [Pg.207]

Motivated by these findings, various authors have considered alternatives a theory of viscoelasticity and a theory having spacial-dependence of the stress are considered, respectively, by Bernstein and Coleman in other papers of this series. [Pg.151]

The Lovasz conjecture (here Theorem 19.15) was from the very beginning an important motivation for developing the theory of Horn complexes. It was originally settled by Babson and the author in a series of papers [BK03, BK06, BK04]. [Pg.346]


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See also in sourсe #XX -- [ Pg.239 ]




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