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1.
Renny Mathew Karolina A. Uchman Lydia Gkoura Chris J. Pickard Maria Baias 《Magnetic resonance in chemistry : MRC》2020,58(11):1018-1025
A combined experimental and computational approach was used to distinguish between different polymorphs of the pharmaceutical drug aspirin. This method involves the use of ab initio random structure searching (AIRSS), a density functional theory (DFT)-based crystal structure prediction method for the high-accuracy prediction of polymorphic structures, with DFT calculations of nuclear magnetic resonance (NMR) parameters and solid-state NMR experiments at natural abundance. AIRSS was used to predict the crystal structures of form-I and form-II of aspirin. The root-mean-square deviation between experimental and calculated 1H chemical shifts was used to identify form-I as the polymorph present in the experimental sample, the selection being successful despite the large similarities between the molecular environments in the crystals of the two polymorphs. 相似文献
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In the following we find all of the three-dimensional flat spacetimes which are static and rotationally symmetric. 相似文献
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When an organization solves a portfolio problem with public projects evaluated by multiple criteria, in which the economic dimension is not essential or not well characterized, the classical methods are not useful. We propose a non-linear preference model developed from normative Value Theory and using fuzzy sets to model some sources of imprecision. This model can be considered as a generalization of the classical approaches. However, the optimization problem is very complex in order to be solved with non-linear programming techniques. Therefore, the model is exploited by an evolutionary algorithm, able to achieve a strong improvement of the quality of solution. 相似文献
5.
The problem of finding the Euclidean distance between two convex polyhedra can be reduced to the combinatorial optimization problem of finding the minimum distance between their faces. This paper presents a global optimality criterion for this problem. An algorithm (QLDPA) for the fast computation of the distance between convex and bounded polyhedra is proposed as an application of it. Computer experiments show its fast performance, especially when the total number of vertices is large. 相似文献
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Mark E. Filipkowski Edwin E. Hach III Michael Offenbacker 《Journal of magnetism and magnetic materials》2006
We show, via a straightforward calculation, that it is feasible to detect nuclear spin echoes in a ferromagnetic thin film by electrical means. The detection scheme is based on the deflection of the electronic magnetization when the nuclear magnetization reforms during an echo. This deflection is observed as a time-dependent magnetoresistive signal. 相似文献
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Dedicated to the memory of John Oxtoby 相似文献
9.
E. Casarejos P. Armbruster L. Audouin J. Benlliure M. Bernas A. Boudard R. Legrain S. Leray B. Mustapha S. Czajkowski T. Enqvist B. Fernandez J. Pereira M. Pravikoff F. Rejmund K. -H. Schmidt C. Stephan J. Taieb L. Tassan-Got C. Villagrasa C. Volant W. Wlazlo 《Physics of Atomic Nuclei》2003,66(8):1413-1420
The isotopic production cross sections of heavy residues in relativistic heavy-ion collisions have been investigated in inverse kinematics. The primary reaction products were fully identified in mass and atomic number prior to beta decay using the fragment separator FRS. The huge collection of data obtained helps in the understanding of the two main reaction mechanisms involved: fragmentation and fission. These data provide basic information for future radioactive ion beam facilities and for technical applications like intense neutron sources by means of spallation targets. 相似文献
10.
The dispersion relation of magnetostatic waves tangentially magnetized to saturation ferrite film, with a “magnetic wall” condition (tangential component of microwave magnetic field is equal to zero) on one of the film surface and with a metal condition on the opposite surface is analyzed. The dispersion characteristics show that unidirectional magnetostatic waves appear in this structure: they can transfer energy in one direction only and fundamentally cannot transfer energy in the opposite direction. The dispersion-free propagation of magnetostatic waves also is possible in the structure in a wide frequency interval. 相似文献