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121.
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Ibon Alkorta Fernando Blanco Pere M. Deyà José Elguero Carolina Estarellas Antonio Frontera David Quiñonero 《Theoretical chemistry accounts》2010,126(1-2):1-14
This review covers two aspects concerning cooperativity in multiple weak bonds: a summary of literature results and a theoretical study of a complete series of model complexes. All the 15 combination of five weak bonds were explored: hydrogen bonds, hydric bonds, dihydrogen bonds, halogen bonds and ion–π interactions. Since in several cases there were no examples reported, a systematic exploration has been carried out on simple models at the MP2/aug-cc-pVTZ level. The results thus obtained have been analyzed using the atoms in molecules methodology. 相似文献
124.
The catalytic effect of various ions on the aerial oxidation of Co(II) when extracted from weakly acidic solutions with quinolin-8-ol in chlorofom was studied. Oxidation is complete only in the presence of Fe(III) or V(V). Mixtures of Al(III), Cu(II), Fe(III) and Ni(II) with Co(II) at concentrations in the range 1–8 μg ml?1 were analysed by using a multi-component analysis program involving first-order derivative spectra. Because of the metal ion interaction, a multivariate calibration process is required. The recovery factors achieved ranged from 93 to 111%. 相似文献
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Ann‐Christine Albertsson Geta David Clara Strandberg Doina Bilba Carmen Paduraru 《Journal of polymer science. Part A, Polymer chemistry》2005,43(23):5889-5898
Poly(trimethylolpropane trimethacrylate) microspheres with a narrow size distribution were obtained by precipitation polymerization. They were subsequently modified by surface grafting with acrylic acid in a polar ethanol–water reaction medium, without stabilizer, yielding core‐shell particles with diameters in the micrometer range. The resulting polymeric material was characterized by SEM and potentiometric titration, FTIR spectroscopy, and thermal analysis. It was shown that the particle characteristics (size, size distribution, and functionality) obtained by this straightforward procedure can be controlled by modifying the synthesis parameters (monomer concentration, agitation rate, and temperature). The high functionality, the chemical and physico‐mechanical stability, as well as the possibility to control the performances of the resulting polymeric materials by synthesis allow its applications in various areas. Envisaging separation and catalysis domains, Cu(II), Cd(II), and Cr(III) uptake capacity from aqueous solutions was investigated under noncompetitive conditions as a function of synthesized particle functionality, time, and pH range. It was also found that the addition of the carboxylated microparticles to polyethylene stabilized with α‐tocopherol improved the thermo‐oxidative behaviour of the polymeric material. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 43: 5889–5898, 2005 相似文献
127.
Long-Distance Transmission at Zero Dispersion: Exact Expressions for One-Time Statistical Properties
We study the transmission of a signal through a dispersionless fiber with in-line amplifiers. The nonlinearities of the fiber and the noise generated at each amplifier are taken into account. Exact analytical expressions are obtained for the field averages. From these results we obtain the distributed amplification approximation, and study the conditions under which this approximation is valid. 相似文献
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129.
This work proposes a Progressive Assisted Sorting Algorithm (PASA) based on a multicriteria evaluation ELECTRE-type method.
The purpose of the PASA is to aid a decision maker to progressively sort a set of alternatives into a set of categories, which
we considered are ordered (ordinal sorting), following a consistency principle. We consider the principle that if an alternative
outranks (is as good as) a second one, then it must belong to the same category or to a better category. The set of alternatives
already sorted by the decision maker will implicitly define the categories, and will constrain the range of categories where
other alternatives may be sorted. We show how the same idea may be used in an aggregation/disaggregation approach, considering
some parameters of ELECTRE are not fixed a priori, but are constrained only by the examples provided. In this context, we
establish a “convex-shape property” stating that the range of possible categories for an alternative is always an interval
of categories. A discussion contrasting this approach with ELECTRE TRI is included in the conclusions. 相似文献
130.
Krzysztof Pomorski José M. Blanco Pavel V. Kostryukov Artur Dobrowolski Bo?ena Nerlo-Pomorska Micha? Warda Zhi-Gang Xiao Yong-Jing Chen Li-Le Liu Jun-Long Tian Xin-Yue Diao Qiang-Hua Wu 《中国物理C(英文版)》2021,45(5):054109-054109-11
Fission properties of the actinide nuclei are deduced from theoretical analysis. We investigate potential energy surfaces and fission barriers and predict the fission fragment mass yields of actinide isotopes. The results are compared with experimental data where available. The calculations were performed in the macroscopic-microscopic approximation with the Lublin-Strasbourg Drop (LSD) for the macroscopic part, and the microscopic energy corrections were evaluated in the Yukawa-folded potential. The Fourier nuclear shape parametrization is used to describe the nuclear shape, including the non-axial degree of freedom. The fission fragment mass yields of the nuclei considered are evaluated within a 3D collective model using the Born-Oppenheimer approximation. 相似文献