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1.
Peggy E. Chatham Gary M. Karp MichaeL J. Kaufman William Nyitray Robert C. Kerber 《Journal of organometallic chemistry》1982,236(2):257-266
Although , (Fp η-C5H5Fe(CO)2) (I) is stable and characterizable, the lower homologue FpCH2CH(CO2CH3)2 (II) is not; this we attribute to a facile elimination reaction resulting from the relatively acidic β-hydrogen of II. Formation of I from Fp? and XCH2CE2CH3 (X Br, Cl; E CO2CH2CH3) and cleavage of its FeC bonds (using H+, Br2, CeIV and HgII) occur without major amounts of ester group migrations, even though ·CH2CE2CH3 radicals are involved in some of these reactions. 相似文献
2.
Dirk Kerber 《Zeitschrift für Angewandte Mathematik und Physik (ZAMP)》1991,42(5):757-773
This paper is dedicated to the problem of optimizing the transmission properties of a Pulse Amplitude Modulation (PAM) system. The system is disturbed by a random timing jitter in the sampling device which periodically evaluates the continuous output signal at discrete times. Mathematically the timing jitter is a random variable with unknown probability distribution. So, our optimization problem turns out to be actually a minimax problem, for which mathematical game theory with its powerful concepts becomes the suitable frame for our analysis.In the first part [4] we have established a general existence theorem for the minimax problem, and we have worked out some properties of solutions in the case that the feasible impulse responses form a space of infinite dimension.This part summarizes results which we obtain, if we allow only for impulse responses lying in a certainn-dimensional subspace of the original space (see [2, 3]). By general results from semi-infinite optimization (see [1]) we know that, writing the minimax problem as a semi-infinite optimization problem, we can reduce the number of restrictions from infinity to a numbersn+1. On the basis of our special model we present a theory of uniformly singular quadratic forms, which has been developed (see [3]) in order to get additional statements abouts.In this way we supplement the work of Krabs [6], who was the first to present such a finite dimensional model, arguing that it is impossible for an engineer to construct a system in a way that an arbitrary impulse response is realized, unless this impulse response has a simple structure (for instance a low pass filter).The first two paragraphs have been taken almost literally from part I in order to render the lecture more comfortable. The interesting parts, however, are the following ones, where the results specific for the finite dimensional case are worked out. 相似文献
3.
Torsten Kerber Rachel Nathaniel Kerber Xavier Rozanska Philippe Sautet Paul Fleurat‐Lessard 《Journal of computational chemistry》2013,34(13):1155-1163
We present a new software to easily perform QM:MM and QM:QM' calculations called QMX. It follows the subtraction scheme and it is implemented in the Atomic Simulation Environment (ASE). Special attention is paid to couple molecular calculations with periodic boundaries approaches. QMX inherits the flexibility and versatility of the ASE package: any combination of methods namely force field, semiempirical, first principle, and ab initio, can be used as hybrid potential energy surface (PES). Its ease of use is demonstrated by considering the adsorption of Al2Cl3Me3 on silica surface and by combining different levels of theory (from standard DFT to MP2 calculations) for the so‐called High Level cluster with standard PW91 density functional theory calculations for the Low Level environment. It is shown that the High Level cluster must contain the silanol group close to the aluminum atoms. The bridging adsorption is favored by 58 kJ mol?1 at the MP2:PW91 level with respect to the terminal position. Using large clusters at the MP2:PW91 level, it is shown that PW91 calculations are sufficient for structure optimization but that embedded methods are required for accurate energy profiles. © 2013 Wiley Periodicals, Inc. 相似文献
4.
Vitor A. Kerber Carolina S. Passos Luiz C. Klein-Júnior Jean-Charles Quirion Xavier Pannecoucke Isabelle Salliot-Maire Amélia T. Henriques 《Tetrahedron letters》2014
Three new psychollatine-derived monoterpene indole alkaloids were obtained from Psychotria umbellata Thonn.: 3,4-Dehydro-18,19-β-epoxy-psychollatine (2), N4-[1-((R)-2-hydroxypropyl)]-psychollatine (3), and N4-[1-((S)-2-hydroxypropyl)]-psychollatine (4). Their structures were determined by 1H and 13C NMR spectra, 2D correlations (COSY, HMQC, and HMBC), and mass and UV spectra. Compounds 3 and 4 were synthesized for structural confirmation and for the determination of the stereochemistry of the hydroxyl group. 相似文献
5.
Eric Berberich Efi Fogel Dan Halperin Michael Kerber Ophir Setter 《Mathematics in Computer Science》2010,4(1):67-91
We describe the algorithms and implementation details involved in the concretizations of a generic framework that enables
exact construction, maintenance, and manipulation of arrangements embedded on certain two-dimensional orientable parametric
surfaces in three-dimensional space. The fundamentals of the framework are described in a companion paper. Our work covers
arrangements embedded on elliptic quadrics and cyclides induced by intersections with other algebraic surfaces, and a specialized
case of arrangements induced by arcs of great circles embedded on the sphere. We also demonstrate how such arrangements can
be used to accomplish various geometric tasks efficiently, such as computing the Minkowski sums of polytopes, the envelope
of surfaces, and Voronoi diagrams embedded on parametric surfaces. We do not assume general position. Namely, we handle degenerate
input, and produce exact results in all cases. Our implementation is realized using Cgal and, in particular, the package that provides the underlying framework. We have conducted experiments on various data sets,
and documented the practical efficiency of our approach. 相似文献
6.
Adalbert Kerber 《Discrete Mathematics》1978,23(3):319-320
A matrix T=(tik) is introduced, the coefficients of which are defined by , where ai(x) denotes the s the number of i cycles in the element x of the symmetric group Sn. It is shown that these numbers are natural numbers, that they are easy to evaluate, and that they serve very well in order to formulate an infinite number of characterizations of multiply transitive subgroups of symmetric groups in terms of the cycle structure of their elements. 相似文献
7.
T. V. Brantseva A. V. Antonov Yu. A. Gorbatkina M. L. Kerber T. P. Kravchenko A. A. Rybin 《Mechanics of Composite Materials》1999,35(6):453-460
A new device for studying the dynamic adhesive strength is created. A procedure for determining the dynamic adhesive strength in fiber—polymer systems under impact loading (pull-out technique) is developed. The adhesive strength of the interface of polymer—steel wire joints formed by polymers of different chemical nature (epoxy resin, polysulfone, and polypropylene) is examined. It is shown that the dynamic adhesive strength grows as the loading rate increases for all the systems under investigation and that the relationship between the adhesive strength and the loading rate,
, over a wide range of rates can be described by two straight lines corresponding to the quasi-static and impact loading, respectively. When passing from the quasi-static to dynamic loading, the character of scale relations of the adhesive strength does not change.Translated from Mekhanika Kompozitnykh Materialov, Vol. 35, No. 6, pp. 689–700, November–December, 1999. 相似文献
8.
Results of a study of the adhesion of urea polymers to fiberglass and of the phenomenon of wetting of the glass surface by oligomers are presented; the introduction of linear high-molecular-weight compounds with active functional groups into the make-up of the binder aids in an improvement of adhesion and wetting. It has been shown that an interrelationship exists between adhesion, wetting, and the physicomechanical properties of fiberglass plastics. 相似文献
9.
Electrophilic pincer-ligated Pt(II)-dications are efficient catalysts for the cycloisomerization of 1,6-dienes, initiated by alkene activation. The tridentate ligands inhibit beta-hydride elimination and thus enable cationic mechanisms that turnover by Pt(II) extrusion. PPP ligands lead to cyclopropane products, while PNP ligands provide cyclohexene products; mechanistic issues are also discussed. 相似文献
10.