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D. functional theory (DFT) has progressively emerged in the last 40 years as a leading methodol. for the modeling and simulation of chem. systems. In this paper, some historical landmarks in the development of this method are outlined, emphasizing on its m ...
In this thesis we address the problem of safe substitutability in mobile component-oriented formalisms. We try to give a solution for different definitions of "safe" through a new notion of subtyping based on flexibility and observation. The aim is to have ...
The variable-speed magic-angle sample spinning (VSMAS) technique was extended to two-dimensional spectroscopy in solids yielding two-dimensional spectra free of spinning sidebands. [on SciFinder (R)] ...
We define and study a natural weak metric on the Teichmüller space of the torus. A similar metric has been defined by W. Thurston on the Teichmüller space of higher genus surfaces and our definition is motivated by Thurston's definition. However, we shall ...
This document is intended to supplement [6]. Its primary motivation is providing additional explanation to the revised EF definition and its properties. The document also provides additional implementation examples and gives some guidance for computation o ...
NMR of paramagnetic systems in solution is hampered by relaxation enhancement (PRE). Here we present a method to access paramagnetic line widths in microcrystalline samples under magic angle spinning. We demonstrate that a CPMG technique may advantageously ...
We consider the problem of minimization of generalized Buchi automata. We show how to extend fair simulation and delayed simulation to the case where the Buchi automaton has multiple acceptance conditions. For fair simulation, we show how to efficiently co ...
During the Limitation of Oxidant Prodn. (LOOP) campaign, different instruments were deployed, providing a complete data set. This will be used to evaluate the model and its ability to reproduce pollution events. Then, the complete data set will be used for ...
In this paper we address the problem of defining a measure of diversity for a population of individuals whose genome can be subjected to major reorganizations during the evolutionary process. To this end, we introduce a measure of diversity for populations ...
A method is introduced for reducing the degrees of freedom in simulations of mechanical behavior of materials without sacrificing important physics. The method essentially combines the quasicontinuum (QC) method with continuum defect models such as the dis ...
