The generator coordinate approximation for molecules: A review

The generator coordinate approximation is a non-adiabatic theory of molecular systems. Its fundamental outlines were developed during the 1970's. A further analysis and first applications were published during the 1980's. In this paper, we review the present status of the theory.     

An amylopectin tris(phenylcarbamate) chiral stationary phase for high performance liquid chromatography

Amylopectin tris(phenylcarbamate) has been evaluated as a chiral stationary phase for HPLC; the influence on its cptical resolving capabilities of mobile phase composition and nature of the alcohol used as modifier has been studied. Separation and resolution of twelve arylalcohol racemates were examined. In most instances, the stationary phase exhibited high optical resolving capacity.     

Algebraic cycles and topology of real Enriques surfaces

For a real Enriques surface Y we prove that every homology class in H₁(Y (R), Z/2) can be represented by a real algebraic curve if and only if all connected components of Y(R) are orientable. Furthermore, we give a characterization of real Enriques surfaces which are Galois-Maximal and/or Z-Galois-Maximal and we determine the Brauer group of any real Enriques surface Y.     

Strain analysis of Si by FEM and energy-filtering CBED.

Lattice strains around a platelet oxygen precipitate in Si wafer is studied by energy filtering convergent-beam electron diffraction (CBED) and calculations based on the finite element method (FEM). Local lattice strains are measured from CBD patterns obtained with a probe size less than 2 nm in a specimen thicker than 450 nm. Strains measured are compressive along a direction normal to a plate of the precipitation and tensile along a direction parallel to the plate. Two-dimensional stress fields near the precipitate are obtained with FEM computer analyses by fitting the measured strains. It appears that shear stresses are concentrated at the end of the precipitate edge and the maximum shear stress at an interface between the precipitate and the Si-matrix is 1.9 GPa. It is demonstrated that a combination of the energy filtering CBED and FEM is very useful for the study of local strains near interfaces in semiconductor devices, in particular for the study of stress fields that are too steep for application of the conventional CBED technique.     

Γ-type-invariants associated toPU(2)-bundles and the differentiable structure of Barlow's surface

Supported by a Heisenberg-scholarship of the DFG     

Grafting of silica during the processing of silica‐filled SBR: Comparison between length and content of the silane

The treatment of nanoscopic silica grafted in the blend during the processing of silica‐filled styrene butadiene rubber was performed with silane, introduced at different concentrations, or at a constant concentration with a given length of alkyl chain. From swelling measurements in water and in solvent, the maximum silane content that can be grafted has been calculated as a function of the length of the silane alkyl chains as well as their efficiency to cover the silica surface. The found values are close to the values found in the literature for grafting in solution. Moreover, a direct correspondence between the length of the silane alkyl chains and their concentration has been deduced. © 2005 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 143–152, 2006     

Assessment of filtered gas–solid momentum transfer models via a linear wave propagation speed test

The propagation speeds of linear waves in gas–solid suspensions depend strongly on the solids volume fraction and the wave frequency. The latter is due to gas–solid momentum transfer and allows a simple test on filtered gas–solid momentum transfer models. Such models may predict linear wave propagation speeds different from those obtained with the non-filtered model at wave frequencies higher than the filter frequency, but not at wave frequencies lower than the filter frequency.     

Asymptotic Properties of Quasi-Maximum Likelihood Estimators for ARMA Models with Time-Dependent Coefficients

For about thirty years, time series models with time-dependent coefficients have sometimes been considered as an alternative to models with constant coefficients or non-linear models. Analysis based on models with time-dependent models has long suffered from the absence of an asymptotic theory except in very special cases. The purpose of this paper is to provide such a theory without using a locally stationary spectral representation and time rescaling. We consider autoregressive-moving average (ARMA) models with time-dependent coefficients and a heteroscedastic innovation process. The coefficients and the innovation variance are deterministic functions of time which depend on a finite number of parameters. These parameters are estimated by maximising the Gaussian likelihood function. Deriving conditions for consistency and asymptotic normality and obtaining the asymptotic covariance matrix are done using some assumptions on the functions of time in order to attenuate non-stationarity, mild assumptions for the distribution of the innovations, and also a kind of mixing condition. Theorems from the theory of martingales and mixtingales are used. Some simulation results are given and both theoretical and practical examples are treated. Received 2004; Final version 23 December 2004