Zur Acetylierung von nichtreduzierenden Oligosacchariden

Ohne Zusammenfassung     

A characterization of limiting distributions of regular estimates

Summary We consider a sequence of estimates in a sequence of general estimation problems with a k-dimensional parameter. Under certain very general conditions we prove that the limiting distribution of the estimates, if properly normed, is a convolution of a certain normal distribution, which depends only of the underlying distributions, and of a further distribution, which depends on the choice of the estimate. As corollaries we obtain inequalities for asymptotic variances and for asymptotic probabilities of certain sets, generalizing so some results of J. Wolfowitz (1965), S. Kaufman (1966), L. Schmetterer (1966) and G. G. Roussas (1968).     

Electric fields with ultrasoft pseudo-potentials: applications to benzene and anthracene

We present density-functional perturbation theory for electric field perturbations and ultra-soft pseudopotentials. Applications to benzene and anthracene molecules and surfaces are reported as examples. We point out several issues concerning the evaluation of the polarizability of molecules and slabs with periodic boundary conditions.     

Signorini problem with a solution dependent coefficient of friction (model with given friction): approximation and numerical realization

Contact problems with given friction and the coefficient of friction depending on their solutions are studied. We prove the existence of at least one solution; uniqueness is obtained under additional assumptions on the coefficient of friction. The method of successive approximations combined with the dual formulation of each iterative step is used for numerical realization. Numerical results of model examples are shown.This research was supported under the grant No. 101/01/0538 of the Grant Agency of the Czech Republic, by the projects CEZ:J17/98:272401 and MSM 113200007 of the Ministry of Education od the Czech Republic.This revised version was published online in April 2005 with a corrected missing date string.     

Duality in Fuzzy Linear Programming: Some New Concepts and Results

A class of fuzzy linear programming (FLP) problems based on fuzzy relations is introduced, the concepts of feasible and -efficient solutions are defined. The class of crisp (classical) LP problems and interval LP problems can be embedded into the class of FLP ones. Moreover, for FLP problems a new concept of duality is introduced and the weak and strong duality theorems are derived. The previous results are applied to the special case of interval LP and compared to the existing literature.     

Similarity approach to chemical reactivity. Theoretical justification of the Hammond postulate

The recently proposed similarity index was applied to the quantitative justification of the empirical Hammond postulate for a series of selected pericyclic reactions. In keeping with the expectations of the postulate the transition states were shown to be reactant-like for exothermic and product-like for endothermic reactions.