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Compensation effect strategy

In order to systematically remedy the previous drawbacks, we recently proposed to perform a perturbation treatment, not on a wavefunction built iteratively, but on a wavefunction that already contains every components needed to properly account for the the chemistry of the problem under investigation [34], In that point of view, we mean that this zeroth-order wavefunction has to be at least qualitatively correct the quantitative aspects of the problem are expected to be recovered at the perturbation level that will include the remaining correlation effects that were not taken into account in the variational process any unbalanced error compensations or non-compensations between the correlation recovered for different states is thus avoided contrary to what might happen when using any truncated CIs. In this contribution, we will report the strategy developed along these lines for the determination of accurate electronic spectra and illustrate this process on the formaldehyde molecule H2CO taken as a benchmark. [Pg.41]

In principle, there are four basic strategies to compensate for the repulsive effects between the hydrophobic fullerene surface and water (a) encapsulation in the internal hydrophobic moiety of water-soluble hosts like cyclodextrins (Andersson et al., 1992 Murthy and Geckeler, 2001), calixarenes (Kunsagi-Mate et al., 2004) or cyclotriveratrylenes (Rio and Nierengarten, 2002) (b) supramolecular or covalent incorporation of fullerenes or derivatives into water-soluble polymers (Giacalone and Martin, 2006) or biomolecules like proteins (Pellarini et al., 2001 Yang et al., 2007) (c) suspension with the aid of appropriate surfactants and (d) direct exohe-dral functionalization in order to introduce hydrophilic moieties. [Pg.53]

Based on the linearized models around the equilibrium point, different local controllers can be implemented. In the discussion above a simple proportional controller was assumed (unity feedback and variable gain). To deal with multivariable systems two basic control strategies are considered centralized and decentralized control. In the second case, each manipulated variable is computed based on one controlled variable or a subset of them. The rest of manipulated variables are considered as disturbances and can be used in a feedforward strategy to compensate, at least in steady-state, their effects. For that purpose, it is t3q)ical to use PID controllers. The multi-loop decoupling is not always the best strategy as an extra control effort is required to decouple the loops. [Pg.20]

Similar to patients on other antidepressants, patients on MAOIs should be maintained on MAOIs for a period of at least 6 months. If there is a history of recurrent depressive episodes following discontinuation, MAOl therapy should be extended for 2 years or more, as long as the patient is closely supervised and shows no significant adverse effects or toxicity. There is evidence that a few patients maintained on MAOIs for periods of 6 months or more may experience loss of therapeutic effect, which correlates with a decrease in adverse effects such as anorexia and insomnia (277). Of note, tolerance to the hypotensive effects does not seem to develop. Waning of therapeutic efficacy can be compensated for by increasing the dose, but this strategy may be limited by adverse effects, particularly hypotension. [Pg.135]

A diffuse pressure applied by the hydrophobic effect would compensate the strain thus engendered. Extension of this strategy may permit the use of self-assembly to construct other strained structures, which tend to have unusual and technologically interesting properties [35]. [Pg.13]


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