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Electronic structure calculations based on density functional theory were performed for solids and large molecules. The solids were represented by clusters of 60–100 atoms embedded in the potential of the external crystal. Magnetic moments and Mössbauer hyperfine parameters were derived.  相似文献   
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Characteristic gamma-rays are emitted promptly by elements during exposure to neutrons. These emissions enable a radioanalytical analysis of the body's composition of protein (nitrogen), water (hydrogen), and fat (carbon). We have used this method in vivo to determine the body composition of obese and lean pigs (10 to 20 kg body wt) fed an altered cholesterol diet.  相似文献   
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This article sets forth a way of connecting the classroom instructional environment with individual students' generalizations. To do so, we advance the notion of focusing phenomena, that is, regularities in the ways in which teachers, students, artifacts, and curricular materials act together to direct attention toward certain mathematical properties over others. The construct of focusing phenomena emerged from an empirical study conducted during a 5-week unit on slope and linear functions in a high school classroom using a reform curriculum. Qualitative evidence from interviews with 7 students revealed that students interpreted the m value in y = b + mx as a difference rather than a ratio as a result of counterproductive generalization afforded by focusing phenomena. Classroom analysis revealed 4 focusing phenomena, which regularly directed students' attention to various sets of differences rather than to the coordination of quantities.  相似文献   
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We investigate the electronic properties of multiwalled carbon nanotubes both before and after acid treatment with concentrated sulphuric and nitric acids. Magnetic susceptibility measurements were performed using a SQUID magnetometer and show that there is a considerable enhancement in the density of states at the Fermi level. The data shows that the diamagnetic influence from the graphitic nanotubes dominates. We experimentally observe, after acid treatment, that the diamagnetic susceptibility remains unchanged at 5 K but notably decreases at 77 K. We propose the acid treatment has increased the Van Vleck paramagnetic contribution lowering the diamagnetic response from the π-electron orbital magnetisation. The Van Vleck paramagnetic contribution is finite-temperature dependent with a diminishing contribution at higher fields.  相似文献   
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This paper gives a covariant formalism enabling investigation of the possibility of change of signature in classical General Relativity, when the geometry is that of a Robertson-Walker universe. It is shown that such changes are compatible with the Einstein field equations, both in the case of a barotropic fluid and of a scalar field. A criterion is given for when such a change of signature should take place in the scalar field case. Some examples show the kind of resulting exact solutions of the field equations.  相似文献   
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This paper addresses the problem of designing environmental regulations when firms possess better information about the cost of pollution abatement than regulators. In the regulatory equilibrium derived in the paper, firms are induced to reveal the information they have concerning abatement costs through the judicious use of abatement standard-subsidy combinations. Offering firms a menu of regulatory contracts, each one specifying a required level of pollution abatement as well as a lump sum subsidy to be paid by the regulatory agency to the firm, is shown to be superior to optimal uniform standard-subsidy schemes. By appealing to the revelation principle and employing a second policy instrument (subsidies), albeit a costly one, in conjunction with an abatement standard, the incentive compatible approach to environmental regulation presented in the paper minimizes the economic inefficiency customarily attributable to a lack of initial information regarding pollution abatement costs.  相似文献   
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Ethylene glycol (EG) initiated, hydroxyl‐telechelic poly(L ‐lactide) (PLLA) was employed as a macroinitiator in the presence of a stannous octoate catalyst in the ring‐opening polymerization of 5‐methyl‐5‐benzyloxycarbonyl‐1,3‐dioxan‐2‐one (MBC) with the goal of creating A–B–A‐type block copolymers having polycarbonate outer blocks and a polyester center block. Because of transesterification reactions involving the PLLA block, multiblock copolymers of the A–(B–A)n–B–A type were actually obtained, where A is poly(5‐methyl‐5‐benzyloxycarbonyl‐1,3‐dioxan‐2‐one), B is PLLA, and n is greater than 0. 1H and 13C NMR spectroscopy of the product copolymers yielded evidence of the multiblock structure and provided the lactide sequence length. For a PLLA macroinitiator with a number‐average molecular weight of 2500 g/mol, the product block copolymer had an n value of 0.8 and an average lactide sequence length (consecutive C6H8O4 units uninterrupted by either an EG or MBC unit) of 6.1. For a PLLA macroinitiator with a number‐average molecular weight of 14,400 g/mol, n was 18, and the average lactide sequence length was 5.0. Additional evidence of the block copolymer architecture was revealed through the retention of PLLA crystallinity as measured by differential scanning calorimetry and wide‐angle X‐ray diffraction. Multiblock copolymers with PLLA crystallinity could be achieved only with isolated PLLA macroinitiators; sequential addition of MBC to high‐conversion L ‐lactide polymerizations resulted in excessive randomization, presumably because of residual L ‐lactide monomer. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 6817–6835, 2006  相似文献   
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