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1.
Doz. Dr. Heinz Falk Otmar Hofer Alfred Leodolter 《Monatshefte für Chemie / Chemical Monthly》1975,106(4):983-990
The structure of squaric acid derivatives was investigated on the basis of the PPP—SCF—LCAO—MO—CI method utilizing the π-electron densities and bond orders. The parameters used in the calculations were modified to fit the experimental data for representative compounds. The data were obtained by X-ray photoelectron spectrometry and electron absorption spectroscopy (including the polarization of the bands as determined by liquid crystal induced circular dichroism measurements). 相似文献
2.
Saharon Shelah Otmar Spinas 《Transactions of the American Mathematical Society》2000,352(5):2023-2047
We show that in a model obtained by forcing with a countable support iteration of Mathias forcing of length , the distributivity number of /fin is , whereas the distributivity number of r.o./fin) is . This answers a problem of Balcar, Pelant and Simon, and others.
3.
Summary The solution conformations of 1,4-diaryl-tetrahydro-1H,3H-furo[3,4-c]furans were determined by means of the LIS technique using a modified LIS-simulation program specially designed for the requirements of the aromatic 1,2,3-trimethoxy arrangement as a bidentate coordination site for the NMR shift reagent. The resulting geometries were confirmed by force field calculations (MM2-87) and compared with X-ray derived structures. Reliable data for the conformations in solution allowed a quantitative estimation of the circular dichroism based on the coupled oscillator model.
Lanthanideninduzierte Verschiebungen von aromatischen 1,2,3-Trimethoxy-Verbindungen: Konformationsanalyse von Tetrahydrofurofuran-Lignanen in Lösung
Zusammenfassung Es wurden mittels der LIS-Technik die Konformationen von 1,4-Diaryl-tetrahydro-1H,3H-furo[3,4-c]furanen in Lösung bestimmt. Dazu mußte ein modifiziertes LIS-Simulationsprogramm entworfen werden, das auf die besonderen Verhältnisse der aromatischen 1,2,3-Trimethoxy-Gruppierung eingeht, welche in den untersuchten Verbindungen als zweizähnige Koordinationsstelle für das NMR-Verschiebungsreagens fungiert. Die resultierenden Geometrien wurden mittels Kraftfeldrechnungen (MM2-87) überprüft und soweit vorhanden auch mit Röntgenstrukturdaten verglichen. Für die Lösungskonformationen wurde eine quantitative Abschätzung des Circulardichroismus auf der Basis des Modells für gekoppelte Oszillatoren durchgeführt.相似文献
4.
5.
Engel CK Pirard B Schimanski S Kirsch R Habermann J Klingler O Schlotte V Weithmann KU Wendt KU 《Chemistry & biology》2005,12(2):181-189
Inhibitors for matrix metalloproteinases (MMPs) are under investigation for the treatment of cancer, arthritis, and cardiovascular disease. Here, we report a class of highly selective MMP-13 inhibitors (pyrimidine dicarboxamides) that exhibit no detectable activity against other MMPs. The high-resolution X-ray structures of three molecules of this series bound to MMP-13 reveal a novel binding mode characterized by the absence of interactions between the inhibitors and the catalytic zinc. The inhibitors bind in the S1' pocket and extend into an additional S1' side pocket, which is unique to MMP-13. We analyze the determinants for selectivity and describe the rational design of improved compounds with low nanomolar affinity. 相似文献
6.
Harald Greger Otmar Hofer Andreas Werner 《Monatshefte für Chemie / Chemical Monthly》1985,116(2):273-277
In addition to the well known affinin [=spilanthol, (2E,6Z,8E)-deca-2,6,8-trienoic acid isobutylamide (1)], the corresponding 2-methyl-butylamide (2), and two new acetylenic alkamides were isolated fromSpilanthes oleracea L. by reversed phase medium pressure chromatography: (Z)-non-2-en-6,8-diynoic acid isobutylamide (3) and (Z)-dec-2-en-6,8-diynoic acid isobutylamide (4). The structures and their stereochemistries were elucidated by1H-NMR,13C-NMR (2 and3), MS, UV, IR, and CD (2). The chemotaxonomic significance of the distribution of alkamides within theCompositae tribeHeliantheae is briefly discussed.
Neue Amide ausSpilanthes oleracea (Kurze Mitteilung)
Zusammenfassung AusSpilanthes oleracea wurden neben dem seit langem bekannten Affinin [=Spilanthol, (2E,6Z,8E)-Deca-2,6,8-triensäureisobutylamid (1)] durch Umkehrphasen-Mitteldruckchromatographie das entsprechende 2-Methylbutylamid (2) und zwei neue acetylenische Alkamide isoliert: (Z)-Non-2-en-6,8-diinsäure-isobutylamid (3) und (Z)-Dec-2-en-6,8-diinsäure-isobutylamid (4). Die Strukturen und deren Stereochemie wurden mittels1H-NMR,13C-NMR (2 und3), MS, UV, IR und CD (2) aufgeklärt. Die chemotaxonomische Bedeutung der Verbreitung von Alkamiden innerhalb der Compositen-TribusHeliantheae wird kurz diskutiert.相似文献
7.
We continue [21] and study partition numbers of partial orderings which are related to (ω)/fin. In particular, we investigate Pf, be the suborder of ((ω)/fin)ω containing only filtered elements, the Mathias partial order M, and (ω), (ω)ω the lattice of (infinite) partitions of ω, respectively. We show that Solomon's inequality holds for M and that it consistently fails for Pf. We show that the partition number of (ω) is C. We also show that consistently the distributivity number of (ω)ω is smaller than the distributivity number of (ω)/fin. We also investigate partitions of a Polish space into closed sets. We show that such a partition either is countable or has size at least D, where D is the dominating number. We also show that the existence of a dominating family of size 1 does not imply that a Polish space can be partitioned into 1 many closed sets. 相似文献
8.
Saharon Shelah Otmar Spinas 《Proceedings of the American Mathematical Society》1999,127(12):3475-3480
We introduce a large cardinal property which is consistent with and show that for every superatomic Boolean algebra and every cardinal with the large cardinal property, if tightness, then depth. This improves a theorem of Dow and Monk.
9.
10.
José A. Iglesias Martin Rumpf Otmar Scherzer 《Foundations of Computational Mathematics》2018,18(4):891-927
A shape sensitive, variational approach for the matching of surfaces considered as thin elastic shells is investigated. The elasticity functional to be minimized takes into account two different types of nonlinear energies: a membrane energy measuring the rate of tangential distortion when deforming the reference shell into the template shell, and a bending energy measuring the bending under the deformation in terms of the change of the shape operators from the undeformed into the deformed configuration. The variational method applies to surfaces described as level sets. It is mathematically well-posed, and an existence proof of an optimal matching deformation is given. The variational model is implemented using a finite element discretization combined with a narrow band approach on an efficient hierarchical grid structure. For the optimization, a regularized nonlinear conjugate gradient scheme and a cascadic multilevel strategy are used. The features of the proposed approach are studied for synthetic test cases and a collection of geometry processing examples. 相似文献