Advantage over other inclusion

A similar description has been employed by Leckie and Onat [17] and Onat and Leckie [18] and Onat [19] to include damaged-induced microstructural anisotropy into constitutive equations. Despite its advantages over other forms of representation, this approach has not been applied widely to the description of anisotropic microstructures and its inclusion in constitutive laws for materials. 

NMR spectroscopy allows a clear differentiation between inclusion and other possible (external) interactions. This is an important advantage over other techniques that are more global and do not provide convincing proof of an inclusion. 

The Drude oscillator model has a number of advantages over other polarizable models facilitating its implementation in multiple simulation packages including CHARMM [150], NAMD [165], ChemSell QM/MM [192] and the OpenMM suite of utilities for GPU [193]. Representing a dipole as two point charges provides an intuitive physical picture in terms of displacement of the electronic distribution the model is able to represent delocalization without need of additional non-atomic sites since the dipole is not point-like as, e.g., in the induced dipole model. For example, the use of auxiliary particles allows for the inclusion of mechanical polarizabilities [194]... 

An important advantage of the inclusion complexes of the cyclodextrins over those of other host compounds, particularly in regard to their use as models of enzyme-substrate complexes, is their ability to be formed in aqueous solution. In the case of clathrates, gas hydrates, and the inclusion complexes of such hosts as urea and deoxycholic acid, the cavity in which the guest molecule is situated is formed by the crystal lattice of the host. Thus, these inclusion complexes disintegrate when the crystal is dissolved. The cavity of the cyclodextrins, however, is a property of the size and shape of the molecule and hence it persists in solution. In fact, there is evidence that suggests that the ability of the cyclodextrins to form inclusion complexes is dependent on the presence of water. Once an inclusion complex has formed in solution, it can be crystallized however, in the solid state, additional cavities appear in the lattice, as in the case of the hosts previously mentioned, which enable the inclusion of further guest molecules. ... 

The most common technique employed to date has been that of creep in uniaxial tension. It was shown above that with the inclusion of lateral strain measurements this is a powerful technique giving access to up to 6 independent creep compliance functions. This is more than for any other known method. It further has the overwhelming advantage over many methods, such as say torsional or flexural creep, that the stress is sensibly uniform over the working volume of the specimen. This advantage is paramount in studies of materials displaying non-linear behaviour in creep since analysis of the non-uniform stress situation in non-linear systems is not well developed. Attempts to overcome the non-uniform stress situation in torsion, by recourse to, say, torsion of thin walled tubes, lead to severe difSculties in specimen preparation in oriented materials, when anisotropy of behaviour is to be studied. 

Although this method requires in some cases the synthesis of vinyl monomer of CDs, it has several advantages over the method in DMSO. Receptors can be prepared for template molecules with various functional groups (carboxyl-ate, amine, and others) to react with the diisocyanate. In water, the formation of inclusion complexes between the template and CDs is much more efficient than in DMSO, making imprinting more effective. 

The type of electrode described above has no compelling advantage over any other type. It is sensitive to all types of ionic surfactant, and its selectivity is only between surfactant and non-surfactant ions. The inclusion of surfactants in the filling solution or in the membrane itself, and the chemical nature of such surfactants, has little effect on its performance as an end-point indicator. It would seem that almost any kind of electrode involving a membrane can be successfully used for this limited purpose. The performance is not significantly influenced by pH between pH 1 and pH 13. 

We have shown that the inclusion of small amounts of DBS or selected derivatives leads to the formation of a well-dispersed system of nanofibrils. These are particularly effective in directing the crystallisation of polyethylene, polypropylene and poly(e-caprolactone) due to the high number density of the fibrils in the sample. It may well be possible to extend to other polymer systems. Such work is underway. The approach offers distinct advantages over the other approaches described in other chapters in this volume. It avoids the use of viscous high molecular fractions to produce row nuclei. By using a nanoparticle it may be possible to achieve other... 

On the other hand, CASPT2 calculations are much less demanding of computer resources than CAS-CISD. In fact, the convergence of the CASSCF procedure is not infrequently the slow step in a CASPT2 calculation. In addition, CASPT2 has the advantage over CASSCF that, due to the inclusion of excitations outside the active space, some of the problems associated with the choice of the active space (cf. above) in CASSCF calculations are ameliorated when CASPT2 calculations are performed. 

The interactions present in halogen-bonded systems are in general weak, thus the need to use quantum mechanical methods that include electron correlation for an accurate description. In particular, these interactions are sensitive, not only to the basis set used but also to the level of electron correlation used, the counterpoise correction and the inclusion of spin-orbit effects for bromine and iodine. In contrast with the widely accepted idea that hydrogen bonded systems are reasonably well described with MoUer-Plesset perturbation (MP2) methods, halogen bond interactions are overestimated at this level. Therefore, for an accurate description of these systems a coupled cluster method is advised, preferably with single and double excitations (CCSD) or with perturbative triple excitations (CCSD(T)). This problem pertains also to density functional theory methods (DFT) where some methods lead to better results than others and the choice of the best functional is not straightforward. DFT methods have the advantage over wave function methods that time... 

Shielding and Stabilization. Inclusion compounds may be used as sources and reservoirs of unstable species. The inner phases of inclusion compounds uniquely constrain guest movements, provide a medium for reactions, and shelter molecules that self-destmct in the bulk phase or transform and react under atmospheric conditions. Clathrate hosts have been shown to stabiLhe molecules in unusual conformations that can only be obtained in the host lattice (138) and to stabiLhe free radicals (139) and other reactive species (1) similar to the use of matrix isolation techniques. Inclusion compounds do, however, have the great advantage that they can be used over a relatively wide temperature range. Cyclobutadiene, pursued for over a century has been generated photochemicaHy inside a carcerand container (see (17) Fig. 5) where it is protected from dimerization and from reactants by its surrounding shell (140). 

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