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61.
Bischoff MM Konvicka C Quinn AJ Schmid M Redinger J Podloucky R Varga P van Kempen H 《Physical review letters》2001,86(11):2396-2399
The first scanning tunneling spectroscopy measurements on V(001) are reported. A strong surface state is detected which is very sensitive to the presence of segregated carbon impurities. The surface state energy shifts from 0.03 eV below the Fermi level at clean areas towards higher energies (up to approximately 0.2 eV) at contaminated areas. Because of the negative dispersion of this state, the upward shift cannot be described in a simple confinement picture. Rather, the surface state energy is governed by vanadium surface s- d interactions which are altered by carbon coverage. 相似文献
62.
Hebenstreit W Schmid M Redinger J Podloucky R Varga P 《Physical review letters》2000,85(25):5376-5379
Atomically resolved scanning tunneling microscopy reveals the existence of triangular (111) bulk terminated NaCl islands. The islands can be grown by subsequent adsorption of Na and Cl2 on Al(111) and Al(100) or by conversion of stoichiometric NaCl(100) islands to NaCl(111) via additional Na adsorption. The NaCl(111) islands have Na-Cl-Na sandwich structure. Ab initio calculations of the electronic structure of these islands show that each of the Na atoms carries half a positive elementary charge, leaving the islands neutral and explaining the existence of an otherwise unstable surface. 相似文献
63.
Christian Heller Martin Schwentenwein Günter Russmüller Thomas Koch Doris Moser Christian Schopper Franz Varga Jürgen Stampfl Robert Liska 《Journal of polymer science. Part A, Polymer chemistry》2011,49(3):650-661
The last decade has seen a remarkable interest in the use of biocompatible and biodegradable polymers as scaffolds for tissue engineering. The fabrication of 3D scaffolds by lithography‐based additive manufacturing technology (AMT) represents an appealing approach. As poly(lactic acid), the state of the art biocompatible and biodegradable material, cannot be processed by these photopolymerization‐based techniques, it has so far been necessary to use selected (meth)acrylates. By developing new photopolymers based on vinyl carbonates and vinyl carbamates as a reactive group we have been able to avoid most of the disadvantages of classical (meth)acrylate‐based photopolymers. The new generation of biocompatible monomers show low cytotoxicity, have good storage stability, and are sufficiently photoreactive to be structured by lithography based AMT. The mechanical properties and rates of degradation of the polymers can be easily tuned over a broad range. Degradation results in the formation of nonacidic and nontoxic degradation products of low molecular weight that can be easily transported within the human body. Initial in vivo tests showed significant osseointegration of the 3D cellular scaffolds and no signs of implant rejection. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2011 相似文献
64.
Štefan Varga 《International journal of quantum chemistry》2008,108(9):1518-1527
Density fitting scheme is analyzed for the Coulomb problem in extended systems from the correctness of long‐range behavior point of view. We show that for the correct cancellation of divergent long‐range Coulomb terms it is crucial for the density fitting scheme to reproduce the overlap matrix exactly. It is demonstrated that from all possible fitting metric choices the Coulomb metric is the only one which inherently preserves the overlap matrix for infinite systems with translational periodicity. Moreover, we show that by a small additional effort any non‐Coulomb metric fit can be made overlap‐preserving as well. The problem is analyzed for both ordinary and Poisson basis set choices. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2008 相似文献
65.
Dana Copolovici Cristian Silvestru Richard A. Varga 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(1):m37-m39
The title compound, [Sb(C11H14NO)3], is monomeric with the Sb atom located on a threefold axis. The complex exhibits distorted trigonal–antiprismatic geometry around the Sb atom, owing to the presence of intramolecular N→Sb interactions. H...phenyl intermolecular interactions lead to the formation of dimers stacked along the c axis. The morpholine rings exhibit almost ideal chair conformations. No intermolecular interactions between the morpholine rings of neighbouring molecules were observed. 相似文献
66.
The influence of nucleus density on optical properties in nucleated isotactic polypropylene 总被引:1,自引:0,他引:1
Alfrd Menyhrd Markus Gahleitner Jzsef Varga Klaus Bernreitner Pirjo Jskelinen Harry
ysd Bla Puknszky 《European Polymer Journal》2009,45(11):3138-3148
The effect and efficiency of three nucleating agents, a sorbitol based clarifier, a traditional heterogeneous nucleating agent and poly(vinylcyclohexane) (PVCH) was studied in polypropylene (iPP) homopolymer. The nucleating agents were added to iPP in different amounts; PVCH in 0–200 ppm, while the other two in 0–2000 ppm. Optical and mechanical properties were determined on injection molded plates or bars, respectively. Nucleation efficiency was studied by thermal analysis, while structure was characterized by polarized light (PLM), scanning electron (SEM) and atomic force microscopy (AFM). Nucleus density was calculated using the method of Lamberti, which is based on the kinetic theory of the crystallization developed by Lauritzen and Hoffmann. The results proved that the nucleating agents modify properties in different ways and extent. PVCH is very efficient already at small concentrations and increases the stiffness of iPP considerably more than the other two compounds. On the other hand, the clarifier and the traditional nucleating agent induce better optical properties even at smaller efficiency. The structure developing in the presence of the three nucleating agents is also different. The clarifier forms a network in iPP and induces the formation of a microcrystalline structure according to the former literature data. Microspherulitic structure develops in the presence of the heterogeneous nucleating agent studied, while relatively large supermolecular units form in iPP nucleated by PVCH even under the conditions of injection molding. The calculation of nucleus density by existing models and the comparison of the results to optical properties proved that haze is determined by the size of the supermolecular units of the polymer and this latter depends on nucleus density. 相似文献
67.
Viktor Csokai Diem Lan Ha Mai Olívia Varga Klára Tóth Miklós Kubinyi Alajos Grün 《Tetrahedron》2008,64(6):1058-1063
Novel fluorogenic 1,3-alt thiacalix[4](N-phenylazacrown-5)ether ionophore has been synthesized by conjugation of the N-phenyl group with borondipyrromethene (BODIPY) fluorophore moiety. The ionophore exhibits pronounced off-on type fluorescent responses to some transition metal ions, in particular to Cu2+. In a PVC membrane electrode, distinct Ag+ selectivity was observed in potentiometric transduction. 相似文献
68.
G. Hetzendorf und P. Varga 《Fresenius' Journal of Analytical Chemistry》1987,329(2-3):332-334
Summary Measurements of the surface composition of Au-Pd binary alloys performed by Ion Scattering Spectroscopy (ISS) and X-ray Photoelectron-Spectroscopy (XPS) are presented. A set of 11 alloys with different bulk composition was used for these studies. Argon bombardment induced alternation of the surface composition due to preferential sputtering effects and surface segregation due to temperature excursions up to 500 °C have been studied. For quantitative evaluation of the ISS spectra pure metal standards and also calculated scattering cross sections were used. In general, little gold enrichment due to preferential sputtering and strong surface segregation of gold at elevated temperature was found by ISS measurements. The thickness of the altered layer is about 1 or 2 monolayers. 相似文献
69.
70.
In addition to stopped-flow gas chromatographic-infrared (GC-IR) systems and static vapour cells, GC-IR systems without a stopped-flow facility can also be used to measure vapour-phase IR spectra of appropriate quality. An expression was derived for the determination of concentrations in this type of measurement, which can be used to determine integrated absorption coefficients of practical and theoretical importance. 相似文献