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101.
John V. Hanna Dr. Kevin J. Pike Dr. Thibault Charpentier Dr. Thomas F. Kemp Dr. Mark E. Smith Prof. Bryan E. G. Lucier Robert W. Schurko Prof. Lindsay S. Cahill Dr. 《Chemistry (Weinheim an der Bergstrasse, Germany)》2010,16(10):3222-3239
A variable B0 field static (broadline) NMR study of a large suite of niobate materials has enabled the elucidation of high‐precision measurement of 93Nb NMR interaction parameters such as the isotropic chemical shift (δiso), quadrupole coupling constant and asymmetry parameter (CQ and ηQ), chemical shift span/anisotropy and skew/asymmetry (Ω/Δδ and κ/ηδ) and Euler angles (α, β, γ) describing the relative orientation of the quadrupolar and chemical shift tensorial frames. These measurements have been augmented with ab initio DFT calculations by using WIEN2k and NMR‐CASTEP codes, which corroborate these reported values. Unlike previous assertions made about the inability to detect CSA (chemical shift anisotropy) contributions from NbV in most oxo environments, this study emphasises that a thorough variable B0 approach coupled with the VOCS (variable offset cumulative spectroscopy) technique for the acquisition of undistorted broad (?1/2?+1/2) central transition resonances facilitates the unambiguous observation of both quadrupolar and CSA contributions within these 93Nb broadline data. These measurements reveal that the 93Nb electric field gradient tensor is a particularly sensitive measure of the immediate and extended environments of the NbV positions, with CQ values in the 0 to >80 MHz range being measured; similarly, the δiso (covering an approximately 250 ppm range) and Ω values (covering a 0 to approximately 800 ppm range) characteristic of these niobate systems are also sensitive to structural disposition. However, their systematic rationalisation in terms of the Nb? O bond angles and distances defining the immediate NbV oxo environment is complicated by longer‐range influences that usually involve other heavy elements comprising the structure. It has also been established in this study that the best computational method(s) of analysis for the 93Nb NMR interaction parameters generated here are the all‐electron WIEN2k and the gauge included projector augmented wave (GIPAW) NMR‐CASTEP DFT approaches, which account for the short‐ and long‐range symmetries, periodicities and interaction‐potential characteristics for all elements (and particularly the heavy elements) in comparison with Gaussian 03 methods, which focus on terminated portions of the total structure. 相似文献
102.
Temporal cleaning of a high-energy fiber-based ultrafast laser using cross-polarized wave generation
Zaouter Y Ramirez LP Papadopoulos DN Hönninger C Hanna M Druon F Mottay E Georges P 《Optics letters》2011,36(10):1830-1832
We report the use of cross-polarized wave generation to perform both pulse shortening and temporal cleaning of a high-energy ytterbium-doped fiber-based femtosecond laser system. The nonlinear processes allow both a highly efficient nonlinear conversion of 20% and a large compression ratio of 3.5, with inherently improved coherent and incoherent contrasts. This results in the generation of 37 μJ, 115 fs pulses at a repetition rate of 100 kHz with high temporal quality. 相似文献
103.
The minimum linear arrangement problem consists of finding an embedding of the nodes of a graph on the line such that the sum of the resulting edge lengths is minimized. The problem is among the classical NP-hard optimization problems and there has been extensive research on exact and approximative algorithms. In this paper, we introduce a new model based on binary variables d ijk that are equal to 1 if nodes i and j have distance k in the ordering. We analyze this model and point to connections and differences to a model using integer distance variables. Based on computational experiments, we argue that our model is worth further theoretical and practical investigation and that is has potentials yet to be examined. 相似文献
104.
JPC – Journal of Planar Chromatography – Modern TLC - The thin-layer chromatographic behavior of three of the newest oral antidiabetic agents, pioglitazone, rosiglitazone, and... 相似文献
105.
A new direct-mixing and rapid particle-counting system useful for studies on crystal nucleation solution is described. The methods used to calibrate and evaluate the system are reported together with the results obtained during studies on nucleation from solution of nickel dimethylglyoximate. The Volmer-Weber, Becker-D?ring model of the nucleation process is used to correlate the results. 相似文献
106.
Nonlinear Dynamics - Multistability is an area of interest in robotics and locomotion because the ability to achieve multiple configurations or generate multiple gaits allows a single robotic or... 相似文献
107.
Serhii A. Liakhov Igor A. Schepetkin Olexander S. Karpenko Hanna I. Duma Nadiia M. Haidarzhy Liliya N. Kirpotina Anastasia R. Kovrizhina Andrei I. Khlebnikov Irina Y. Bagryanskaya Mark T. Quinn 《Molecules (Basel, Switzerland)》2021,26(18)
c-Jun N-terminal kinase (JNK) plays a central role in stress signaling pathways implicated in important pathological processes, including rheumatoid arthritis and ischemia-reperfusion injury. Therefore, inhibition of JNK is of interest for molecular targeted therapy to treat various diseases. We synthesized 13 derivatives of our reported JNK inhibitor 11H-indeno[1,2-b]quinoxalin-11-one oxime and evaluated their binding to the three JNK isoforms and their biological effects. Eight compounds exhibited submicromolar binding affinity for at least one JNK isoform. Most of these compounds also inhibited lipopolysaccharide (LPS)-induced nuclear factor-κB/activating protein 1 (NF-κB/AP-1) activation and interleukin-6 (IL-6) production in human monocytic THP1-Blue cells and human MonoMac-6 cells, respectively. Selected compounds (4f and 4m) also inhibited LPS-induced c-Jun phosphorylation in MonoMac-6 cells, directly confirming JNK inhibition. We conclude that indenoquinoxaline-based oximes can serve as specific small-molecule modulators for mechanistic studies of JNKs, as well as potential leads for the development of anti-inflammatory drugs. 相似文献
108.
Soliton optical phase control by use of in-line filters 总被引:2,自引:0,他引:2
We address the problem of soliton phase jitter caused by fiber amplifier noise in a communication channel. An analytical expression for phase jitter is derived by use of perturbation theory. In the absence of filters the variance of the phase is found to be proportional to the cube of the propagation distance, but it increases only linearly if in-line filters are used. We verify with simulations that in-line filters maintain the phase jitter at a level that is tolerable for transoceanic links. 相似文献
109.
Broderick NG Ross GW Offerhaus HL Richardson DJ Hanna DC 《Physical review letters》2000,84(19):4345-4348
We report on the fabrication of what we believe is the first example of a two-dimensional (2D) nonlinear photonic crystal [Berger, Phys. Rev. Lett. 81, 4136 (1998)], where the refractive index is constant but where the 2nd order nonlinear susceptibility is spatially periodic. Such crystals allow for efficient quasi-phase-matched 2nd harmonic generation using multiple reciprocal lattice vectors. External 2nd harmonic conversion efficiencies >60% were measured with picosecond pulses. The fabrication technique is extremely versatile and should allow for the fabrication of a broad range of 2D crystals including quasicrystals. 相似文献
110.
Simultaneous separation of 14 antiarrhythmic drugs and determination of mexiletine and flecainide by capillary zone electrophoresis 总被引:1,自引:0,他引:1
A method using capillary zone electrophoresis was developed for the simultaneous separation of 14 antiarrhythmic drugs belonging to various classes. The drugs are separated on a fused-silica capillary, 90 cm x 75 microm (72 cm effective length), with phosphate and acetate buffers as background electrolytes and UV detection at 217 nm. The effects of buffer pH, temperature, and applied voltage on the migration of the drugs were studied. The pH was found to be the most significant factor determining effective separation. The antiarrhythmic compounds are completely separated within a relatively short time (< 7 min) by using 70 mM phosphate buffer at pH 7.91, an applied voltage of 28 kV, and a temperature of 32 degrees C. Mexiletine (MEX) and flecainide (FLE) were quantified under conditions of the optimum separation. The calibration graphs were constructed over the concentration range of 4.0-14.0 microg/mL for both drugs with good correlation (r > or = 0.9999). Detection and quantitation limits were found to be 0.5 and 1.5 microg/mL for FLE and 0.7 and 2.1 microg/mL for MEX, respectively. The proposed method was used for the determination of both drugs in their commercial forms with satisfactory precision (relative standard deviations of 0.36-1.21% for FLE and 0.78-1.66% for MEX) and accuracy (relative standard errors of 0.13-1.17% for FLE and 0.35-1.18% for MEX). 相似文献