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971.
Concerning the approximation of self‐excited periodic oscillations in large‐scaled mechanical systems involving strong nonlinearities, this contribution suggests a concept for an efficient treatment. The presented Hybrid FD‐HB method takes the advantages of both schemes Harmonic Balance and Finite Difference to enhance the ratio of computational cost and accuracy for mechanical systems with many degrees of freedom. Within this contribution the residual equations, required when applying a NEWTON‐RAPHSON‐scheme, are derived and the method is applied to a stiff nonlinear mechanical system. 相似文献
972.
A cross‐scale homogenization approach for multi‐phase materials is to calculate an effective material stiffness in the smaller scale for the multiple states. These detailed results are used to identify a calculation rule for the effective material stiffness in the larger scale. The calculation of the stiffness matrix using ABAQUS for 3D finite elements was already described by [1]. This can be transferred to the calculation of the 2D stiffness matrix in ℝ3×3 without much effort. However, some 2D elements in ABAQUS require the specification of a matrix in ℝ4×4. In this article, the methods for calculating this type of stiffness matrix in 2D are presented. 相似文献
973.
Julia Büker Dr. Baris Alkan Dr. Sonia Chabbra Nikolai Kochetov Tobias Falk Dr. Alexander Schnegg Prof. Dr. Christof Schulz Prof. Dr. Hartmut Wiggers Prof. Dr. Martin Muhler Dr. Baoxiang Peng 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(68):16912-16923
La1−xSrxCoO3 (x=0, 0.1, 0.2, 0.3, 0.4) nanoparticles were prepared by spray-flame synthesis and applied in the liquid-phase oxidation of cyclohexene with molecular O2 as oxidant under mild conditions. The catalysts were systematically characterized by state-of-the-art techniques. With increasing Sr content, the concentration of surface oxygen vacancy defects increases, which is beneficial for cyclohexene oxidation, but the surface concentration of less active Co2+ was also increased. However, Co2+ cations have a superior activity towards peroxide decomposition, which also plays an important role in cyclohexene oxidation. A Sr doping of 20 at. % was found to be the optimum in terms of activity and product selectivity. The catalyst also showed excellent reusability over three catalytic runs; this can be attributed to its highly stable particle size and morphology. Kinetic investigations revealed first-order reaction kinetics for temperatures between 60 and 100 °C and an apparent activation energy of 68 kJ mol−1 for cyclohexene oxidation. Moreover, the reaction was not affected by the applied O2 pressure in the range from 10 to 20 bar. In situ attenuated total reflection infrared spectroscopy was used to monitor the conversion of cyclohexene and the formation of reaction products including the key intermediate cyclohex-2-ene-1-hydroperoxide; spin trap electron paramagnetic resonance spectroscopy provided strong evidence for a radical reaction pathway by identifying the cyclohexenyl alkoxyl radical. 相似文献
974.
Thomas Hofbeck Thomas A. Niehaus Michel Fleck Uwe Monkowius Hartmut Yersin 《Molecules (Basel, Switzerland)》2021,26(11)
We present an overview over eight brightly luminescent Cu(I) dimers of the type Cu2X2(P∩N)3 with X = Cl, Br, I and P∩N = 2-diphenylphosphino-pyridine (Ph2Ppy), 2-diphenylphosphino-pyrimidine (Ph2Ppym), 1-diphenylphosphino-isoquinoline (Ph2Piqn) including three new crystal structures (Cu2Br2(Ph2Ppy)3 1-Br, Cu2I2(Ph2Ppym)3 2-I and Cu2I2(Ph2Piqn)3 3-I). However, we mainly focus on their photo-luminescence properties. All compounds exhibit combined thermally activated delayed fluorescence (TADF) and phosphorescence at ambient temperature. Emission color, decay time and quantum yield vary over large ranges. For deeper characterization, we select Cu2I2(Ph2Ppy)3, 1-I, showing a quantum yield of 81%. DFT and SOC-TDDFT calculations provide insight into the electronic structures of the singlet S1 and triplet T1 states. Both stem from metal+iodide-to-ligand charge transfer transitions. Evaluation of the emission decay dynamics, measured from 1.2 ≤ T ≤ 300 K, gives ∆E(S1-T1) = 380 cm−1 (47 meV), a transition rate of k(S1→S0) = 2.25 × 106 s−1 (445 ns), T1 zero-field splittings, transition rates from the triplet substates and spin-lattice relaxation times. We also discuss the interplay of S1-TADF and T1-phosphorescence. The combined emission paths shorten the overall decay time. For OLED applications, utilization of both singlet and triplet harvesting can be highly favorable for improvement of the device performance. 相似文献
975.
Hartmut Schwetlick 《PAMM》2003,3(1):476-478
In this paper we study the existence of traveling wave solutions to the Keller‐Segel model, a general model of chemotaxis, where the species do not reproduce. In the case of logarithmic sensitivity we show that various functionals modeling the reactive feedback on the chemo‐attractant do allow for traveling waves and a wide range of qualitatively different behavior is possible. We can find monotone fronts as well as pulse solutions in the densities of the population and the chemical. In particular, a new kind of solution exists, where both densities travel as pulses. 相似文献
976.
977.
Hartmut Follmann 《Nachrichten aus der Chemie》1990,38(11):1376-1380
Eine der vom französischen Centre National de la Recherche Scientifique (CNRS) veranstalteten „Conferences Jacques Monod”︁ war dem Thema „Intracellular Redox Controls by Thioredoxin and Glutaredoxin Systems”︁ gewidmet. Zu der Konferenz kamen im Juli in der Biologischen Station Roscoff (Bretagne) etwa 100 Wissenschaftler aus 15 Ländern zusammen. 相似文献
978.
Hartmut Frank 《Nachrichten aus der Chemie》1984,32(4):298-305
979.
980.
Frank Bhme Christoph Kunert Christian Klinger Hartmut Komber 《Macromolecular Symposia》1998,128(1):183-193
Polyamidines with both nitrogens in the main chain (-X-NH-CR=N-) were obtained by polycondensation of diamines with different orthoesters. The thermal properties could be tailored by the choice of diamine and orthoester. Quantitative formation of a cyclic trimer could be observed when 2,6-diamino-pyridine was converted with triethyl orthoformate. 1H, 13C and 15N NMR spectroscopic investigations in solution and in solid state showed that the configuration of the amidine group was strongly dependent on the residue R. In polyformamidines, strong interactions caused by hydrogen bonds could be evidenced. 相似文献