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91.
Jose M.R. Mendez Perez 《Applicable analysis》2013,92(1-4):81-97
By using Hilbert space techniques, the finite Tchebycheff transformations of the first and the second kind are defined on appropriate spaces of generalized functions. The inversion theorems are established and some operation transform formulas are obtained. These results are applied in solving certain distributional differential equations. 相似文献
92.
Jose R. Cabrero‐Antonino Dr. Antonio Leyva‐Pérez Prof. Dr. Avelino Corma 《Chemistry (Weinheim an der Bergstrasse, Germany)》2012,18(35):11107-11114
The triflimide iron(III) salt [Fe(NTf2)3] promotes the direct hydration of terminal and internal alkynes with very good Markovnikov regioselectivities and high yields. The enhanced carbophilic Lewis acidity of the FeIII cation mediated by the weakly‐coordinating triflimide anion is crucial for the catalytic activity. The iron(III) metal salt can be recycled in the form of the OPPh3/[Fe(NTf2)3] system with similar activity and selectivity. However, spectroscopic and kinetic studies show that [Fe(NTf2)3] hydrolyzes under the reaction conditions and that catalytically less active Brønsted species are formed, which points to a Lewis/Brønsted co‐catalysis. This triflimide‐based catalytic system is regioselective for the hydration of internal aryl‐alkynes and opens the door to a new synthetic route to alkyl ketophenones. As a proof of concept, the synthesis of two antipsychotics Haloperidol and Melperone, with general butyrophenone‐like structure, is shown. 相似文献
93.
94.
In the context of symmetric-definite generalized eigenvalue problems, it is often required to compute all eigenvalues contained
in a prescribed interval. For large-scale problems, the method of choice is the so-called spectrum slicing technique: a shift-and-invert
Lanczos method combined with a dynamic shift selection that sweeps the interval in a smart way. This kind of strategies were
proposed initially in the context of unrestarted Lanczos methods, back in the 1990’s. We propose variations that try to incorporate
recent developments in the field of Krylov methods, including thick restarting in the Lanczos solver and a rational Krylov
update when moving from one shift to the next. We discuss a parallel implementation in the SLEPc library and provide performance
results. 相似文献
95.
Pilar I. Vidal-Carreras Jose P. Garcia-Sabater Jairo R. Coronado-Hernandez 《European Journal of Operational Research》2012
This paper presents an algorithm to define the optimal parameters for deliberated and controlled coproduction in an economic lot scheduling problem setting (DCCELSP). Coproduction is said to be deliberated and controlled because it is possible to decide whether or not to coproduce when all the parameters associated with the process are known. The aim is to determine how to produce two products most economically where deliberated coproduction is an option. For this purpose, a procedure for defining optimal lot periods is introduced. Two models are proposed for this procedure and a numerical illustration is provided to gain insight into their dynamics. The cost advantages of coproduction were found to depend on the relationship between setup and holding costs, production rates, and demand for products. The more similar these system parameters are and the higher the machine usage ratio is, the more favourable coproduction is. Additionally, if coproduction is not deliberated appropriately, costs soar. 相似文献
96.
97.
Jose Miguel Zapata Rolon 《Annals of Combinatorics》2016,20(1):177-191
In this paper we obtain asymptotic formulas for positive crank and rank moments for overpartitions. Moreover, we show that crank and rank moments are asymptotically equal while the difference is asymptotically positive. This indicates that there exist analogous higher ospt-functions for overpartitions, which we define. 相似文献
98.
In this paper we present an algorithm, inspired by the cyclic coordinate descent method, which allows the solution of hydrothermal
optimization problems involving pumped-storage plants. The proof of the convergence of the succession generated by the algorithm
was based on the use of an appropriate adaptation of Zangwill’s global theorem of convergence. Finally, the algorithm proposed
is implemented using the Mathematica Package and is applied to an example to illustrate the results obtained. 相似文献
99.
Luis G. MacDowell Jorge Benet Nebil A. Katcho Jose M.G. Palanco 《Advances in colloid and interface science》2014
In this paper we review simulation and experimental studies of thermal capillary wave fluctuations as an ideal means for probing the underlying disjoining pressure and surface tensions, and more generally, fine details of the Interfacial Hamiltonian Model. We discuss recent simulation results that reveal a film-height-dependent surface tension not accounted for in the classical Interfacial Hamiltonian Model. We show how this observation may be explained bottom-up from sound principles of statistical thermodynamics and discuss some of its implications. 相似文献
100.
Prof. Dr. Angel Martin Pendás Jose Luis Casals-Sainz Prof. Evelio Francisco 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(1):309-314
The increasing availability of real-space interaction energies between quantum atoms or fragments that provide a chemically intuitive decomposition of intrinsic bond energies into electrostatic and covalent terms [see, for instance, Chem. Eur. J. 2018 , 24, 9101] provides evidence for differences between the physicist's concept of interaction and the chemist's concept of a bond. Herein, it is argued that, for the former, all types of interactions are treated equally, whereas, for the latter, only the covalent short-range interactions have actually been used to build intuition about chemical graphs and chemical bonds. This has led to the bonding role of long-range Coulombic terms in molecular chemistry being overlooked. Simultaneously, blind consideration of electrostatic terms in chemical bonding parlance may lead to confusion. The relationship between these concepts is examined herein, and some notes of caution on how to merge them are proposed. 相似文献