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1.
2.
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
3.
HIRONOBU Ishihara 《Geometriae Dedicata》1997,67(3):309-336
Several classification results for ample vector bundles of rank 2 on Hirzebruch surfaces, and on Del Pezzo surfaces, are obtained. In particular, we classify rank 2 ample vector bundles with c2 less than seven on Hirzebruch surfaces, and with c2 less than four on Del Pezzo surfaces. 相似文献
4.
Second-order random wave solutions for interfacial internal waves in N-layer density-stratified fluid 下载免费PDF全文
This paper studies the random internal wave equations describing the density interface displacements and the velocity potentials of N-layer stratified fluid contained between two rigid walls at the top and bottom. The density interface displacements and the velocity potentials were solved to the second-order by an expansion approach used by Longuet-Higgins (1963) and Dean (1979) in the study of random surface waves and by Song (2004) in the study of second- order random wave solutions for internal waves in a two-layer fluid. The obtained results indicate that the first-order solutions are a linear superposition of many wave components with different amplitudes, wave numbers and frequencies, and that the amplitudes of first-order wave components with the same wave numbers and frequencies between the adjacent density interfaces are modulated by each other. They also show that the second-order solutions consist of two parts: the first one is the first-order solutions, and the second one is the solutions of the second-order asymptotic equations, which describe the second-order nonlinear modification and the second-order wave-wave interactions not only among the wave components on same density interfaces but also among the wave components between the adjacent density interfaces. Both the first-order and second-order solutions depend on the density and depth of each layer. It is also deduced that the results of the present work include those derived by Song (2004) for second-order random wave solutions for internal waves in a two-layer fluid as a particular case. 相似文献
5.
An Improved Gradient Projection-based Decomposition Technique for Support Vector Machines 总被引:2,自引:0,他引:2
Luca Zanni 《Computational Management Science》2006,3(2):131-145
In this paper we propose some improvements to a recent decomposition technique for the large quadratic program arising in
training support vector machines. As standard decomposition approaches, the technique we consider is based on the idea to
optimize, at each iteration, a subset of the variables through the solution of a quadratic programming subproblem. The innovative
features of this approach consist in using a very effective gradient projection method for the inner subproblems and a special
rule for selecting the variables to be optimized at each step. These features allow to obtain promising performance by decomposing
the problem into few large subproblems instead of many small subproblems as usually done by other decomposition schemes. We
improve this technique by introducing a new inner solver and a simple strategy for reducing the computational cost of each
iteration. We evaluate the effectiveness of these improvements by solving large-scale benchmark problems and by comparison
with a widely used decomposition package. 相似文献
6.
Jong Uhn Kim 《Transactions of the American Mathematical Society》2002,354(3):1117-1135
In this paper we discuss an initial-boundary value problem for a stochastic nonlinear equation arising in one-dimensional viscoelasticity. We propose to use a new direct method to obtain a solution. This method is expected to be applicable to a broad class of nonlinear stochastic partial differential equations.
7.
Formalization for problems of multicriteria decision making under uncertainty is constructed in terms of guaranteed and weak
estimates. A relevant definition of the vector maximinimax value is given. Parameterization and approximation of maximum,
minimax, and maximinimax values based on the inverse logical convolution are suggested. An application for multicommodity
networks is considered.
Received: December 13, 2000 / Accepted: August 21, 2001?Published online May 8, 2002 相似文献
8.
9.
第五讲新型光纤水听器和矢量水听器 总被引:2,自引:0,他引:2
光纤水听器和矢量水听器作为当前水声研究领域最具有代表性的两大技术倍受业界关注。光纤水听器的重要贡献在于,从一个全新的角度出发,试图解决传统的水声传感和声纳数据传输一体化设计和实现的一系列问题,这有助于改善声纳系统的可靠性,并且有可能降低其制造、使用和维护的总成本。矢量水听器则由于其特有的指向性和矢量一相位处理方法,在低频和甚低频水声微弱目标探测方面具有潜在的优势.经过不懈的努力,光纤水听器和矢量水听器系统已经从实验室逐渐进入到工程应用阶段.这些对未来声纳系统的发展会产生相当重要的影响.文章尝试从声纳设计的角度对这两者的技术现状进行简要综述,包括它们各自的物理基础、工作原理、关键技术和应用领域. 相似文献
10.
T. Temesvári C. De Dominicis I.R. Pimentel 《The European Physical Journal B - Condensed Matter and Complex Systems》2002,25(3):361-372
Symmetry considerations and a direct, Hubbard-Stratonovich type, derivation are used to construct a replica field-theory relevant
to the study of the spin glass transition of short range models in a magnetic field. A mean-field treatment reveals that two
different types of transitions exist, whenever the replica number n is kept larger than zero. The Sherrington-Kirkpatrick critical point in zero magnetic field between the paramagnet and replica
magnet (a replica symmetric phase with a nonzero spin glass order parameter) separates from the de Almeida-Thouless line,
along which replica symmetry breaking occurs. We argue that for studying the de Almeida-Thouless transition around the upper
critical dimension d = 6, it is necessary to use the generic cubic model with all the three bare masses and eight cubic couplings. The critical
role n may play is also emphasized. To make perturbative calculations feasible, a new representation of the cubic interaction is
introduced. To illustrate the method, we compute the masses in one-loop order. Some technical details and a list of vertex
rules are presented to help future renormalisation-group calculations.
Received 9 October 2001 相似文献