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991.
We give a quantitative estimate of the convergence in Trotter’s approximation theorem on the convergence of iterates of linear
operators to an assigned semigroup. An application is given concerning the classical Bernstein operator on the d-dimensional simplex.
相似文献
992.
Pavanello M Adamowicz L Alijah A Zobov NF Mizus II Polyansky OL Tennyson J Szidarovszky T Császár AG 《The Journal of chemical physics》2012,136(18):184303
Calibration-quality ab initio adiabatic potential energy surfaces (PES) have been determined for all isotopologues of the molecular ion H(3)(+). The underlying Born-Oppenheimer electronic structure computations used optimized explicitly correlated shifted Gaussian functions. The surfaces include diagonal Born-Oppenheimer corrections computed from the accurate electronic wave functions. A fit to the 41,655 ab initio points is presented which gives a standard deviation better than 0.1 cm(-1) when restricted to the points up to 6000 cm(-1) above the first dissociation asymptote. Nuclear motion calculations utilizing this PES, called GLH3P, and an exact kinetic energy operator given in orthogonal internal coordinates are presented. The ro-vibrational transition frequencies for H(3)(+), H(2)D(+), and HD(2)(+) are compared with high resolution measurements. The most sophisticated and complete procedure employed to compute ro-vibrational energy levels, which makes explicit allowance for the inclusion of non-adiabatic effects, reproduces all the known ro-vibrational levels of the H(3)(+) isotopologues considered to better than 0.2 cm(-1). This represents a significant (order-of-magnitude) improvement compared to previous studies of transitions in the visible. Careful treatment of linear geometries is important for high frequency transitions and leads to new assignments for some of the previously observed lines. Prospects for further investigations of non-adiabatic effects in the H(3)(+) isotopologues are discussed. In short, the paper presents (a) an extremely accurate global potential energy surface of H(3)(+) resulting from high accuracy ab initio computations and global fit, (b) very accurate nuclear motion calculations of all available experimental line data up to 16,000 cm(-1), and (c) results suggest that we can predict accurately the lines of H(3)(+) towards dissociation and thus facilitate their experimental observation. 相似文献
993.
The syn and anti diastereoisomers of some 1,3,5-triarylisocyanurate derivatives were isolated and their configuration assigned by NOE experiments and by X-ray diffraction. The kinetics of the syn/anti interconversion were determined, and the experimental activation energies matched satisfactorily the values predicted by DFT computations. Low-temperature NMR spectra were employed to determine the rotation barrier of N-bonded unhindered aryl substituents: these barriers, too, are satisfactorily reproduced by DFT computations. In the case of racemic diastereoisomers, the two expected enantiomers (atropisomers) were isolated by enantioselective HPLC and the absolute configuration established by DFT simulation of the electronic and vibrational circular dichroism spectra. 相似文献
994.
Michelin M Polizeli Mde L Ruzene DS Silva DP Vicente AA Jorge JA Terenzi HF Teixeira JA 《Applied biochemistry and biotechnology》2012,166(2):336-347
The xylanase biosynthesis is induced by its substrate—xylan. The high xylan content in some wastes such as wheat residues
(wheat bran and wheat straw) makes them accessible and cheap sources of inducers to be mainly applied in great volumes of
fermentation, such as those of industrial bioreactors. Thus, in this work, the main proposal was incorporated in the nutrient
medium wheat straw particles decomposed to soluble compounds (liquor) through treatment of lignocellulosic materials in autohydrolysis
process, as a strategy to increase and undervalue xylanase production by Aspergillus ochraceus. The wheat straw autohydrolysis liquor produced in several conditions was used as a sole carbon source or with wheat bran.
The best conditions for xylanase and β-xylosidase production were observed when A. ochraceus was cultivated with 1% wheat bran added of 10% wheat straw liquor (produced after 15 min of hydrothermal treatment) as carbon
source. This substrate was more favorable when compared with xylan, wheat bran, and wheat straw autohydrolysis liquor used
separately. The application of this substrate mixture in a stirred tank bioreactor indicated the possibility of scaling up
the process to commercial production. 相似文献
995.
This critical review aims to update the recent development in the selective oxidation of organic compounds by gold catalysis, highlighting the progress in the last three years. Following the impressive developments in the last decades, several protocols for catalytic oxidation are today available, which are based on the extraordinary properties of gold in terms of catalytic activity, selectivity, reusability and resistance to poisons. Beside many other applications, gold can be recommended for green processes dedicated to fine chemicals, pharmaceuticals and the food industry owing to its recognized bio-compatibility. The collected literature is focused on experiments concerning the oxidation of different chemical groups and could be of interest, in the wide area of organic chemistry, for improving previous processes or for exploring new catalytic pathways (174 references). 相似文献
996.
Ventre M Valle F Bianchi M Biscarini F Netti PA 《Langmuir : the ACS journal of surfaces and colloids》2012,28(1):714-721
Patterning cell-adhesive molecules on material surfaces provides a powerful tool for controlling and guiding cell locomotion and migration. Here we report fast, reliable, easy to implement methods to fabricate large patterns of proteins on synthetic substrates to control the direction and speed of cells. Two common materials exhibiting very different protein adsorption capacities, namely, polystyrene and Teflon, were functionalized with micrometric stripes of laminin. The protein was noncovalently immobilized onto the surface by following either lithographically controlled wetting (LCW) or micromolding in capillaries (MIMIC). These techniques proved to be sufficiently mild so as not to interfere with the protein adhesion capability. Cells adhered onto the functionalized stripes and remained viable for more than 20 h. During this time frame, cells migrated along the lanes and the dynamics of motion was strongly affected by the substrate surface chemistry and culturing conditions. In particular, enhanced mismatches of cell adhesive properties obtained by the juxtaposition of bare and laminin-functionalized Teflon caused cells to move slowly and their movement to be highly confined. The patterning procedure was also effective at guiding migration on conventional cell culture dishes that were functionalized with laminin patterns, even in the presence of serum proteins, although to a lesser extent compared to that for Teflon. This work demonstrates the possibility of creating well-defined, long-range cellular streams on synthetic substrates by pursuing straightforward functionalizing techniques that can be implemented for a broad class of materials under conventional, long-time cell-culturing conditions. The procedure effectively confines cells to migrate along predefined patterns and can be implemented in different biomedical and biotechnological applications. 相似文献
997.
Diego Antonioli Michele Laus Katia Sparnacci Simone Deregibus Valerj Kapeliouchko Tiziana Poggio Giampaolo Zuccheri Rosita Passeri Luca Boarino 《Macromolecular Symposia》2012,311(1):70-76
Summary: PTFE/PES composites were prepared by precipitation of Radel A® into a PTFE latex containing nanoparticles with average diameters of 48 nm and spherical shape. Several samples were prepared by varying the relative ratio between the Radel A® and PTFE content. The combination of SEM and AFM analysis indicates that the precipitation of Radel A in the presence of PTFE leads mainly, if not exclusively, to a bimodal mixture of the two homoparticles. The fractionated crystallization behaviour of these samples is revealing of the PTFE dispersion degree within the Radel A® matrix. When the PTFE amount is lower than 2%, a perfect PTFE nanoparticle dispersion is obtained. When the amount of PTFE is comprised between 5 and 30%, larger PTFE clusters are obtained that, after melting, coalesce and crystallize at higher temperatures depending on the crystallization propensity of their individual heterogeneous nuclei. Finally, in case of samples 40%, only one crystallization exotherm is observed at 310 °C indicating the formation of very large clusters that after melting coalesce into wide domains. 相似文献
998.
We study various methods of aggregating individual judgments and individual priorities in group decision making with the AHP. The focus is on the empirical properties of the various methods, mainly on the extent to which the various aggregation methods represent an accurate approximation of the priority vector of interest. We identify five main classes of aggregation procedures which provide identical or very similar empirical expressions for the vectors of interest. We also propose a method to decompose in the AHP response matrix distortions due to random errors and perturbations caused by cognitive biases predicted by the mathematical psychology literature. We test the decomposition with experimental data and find that perturbations in group decision making caused by cognitive distortions are more important than those caused by random errors. We propose methods to correct the systematic distortions. 相似文献
999.
Michele Ciarletta Mauro Fabrizio Vincenzo Tibullo 《Mathematical Methods in the Applied Sciences》2014,37(18):2864-2871
We present a mathematical model describing the auxetic‐austenitic phase transition phenomenon by a second order shape memory phase transition. The typical properties of auxetic materials, as the negative Poisson ratio ν, are described by a function of the phase ?, called order parameter, which relates the phase transition with a change of the internal order structure of the material. In our model, the auxetic phase is represented by an order parameter ? = 1, which provides a negative Poisson's ratio, while the austenitic phase will be denoted by ? = 0. Copyright © 2013 John Wiley & Sons, Ltd. 相似文献
1000.
Sergio Bonora Michele Di Foggia Vitaliano Tugnoli Valeria Righi Enrico Benassi Assimo Maris 《Journal of Raman spectroscopy : JRS》2011,42(4):612-620
Cimetidine (cim) is one of the most potent histamine H2‐receptor antagonists for inhibiting excessive acid secretion caused by histamine; it has been hypothesized that the therapeutic effects can be related to its interactions with metal ions. Raman spectra of the solid cim with Co(II), Cu(II), Ni(II) and Zn(II) metal complexes show that they can adopt two different structures: one is octahedral and the other, with Zn(II), is probably tetrahedral. The octahedral structure appears to be distorted both by the different metal ions as well as by the different anion present. The study was extended to very dilute solutions (ppm range) by using the surface‐enhanced Raman scattering (SERS) technique, mimicking the physiological concentrations of cim and its metal complexes. SERS spectra suggest that, upon the binding of cim to silver colloids, the formation of stable 1:2 cim–metal complexes is excluded, the formation of 1:1 adduct appearing more probable; in this product the metal reaches its total coordination shell by complexion with water molecules. To better explain the binding mechanism of cim to a metal (Ag) surface, we performed theoretical B3LYP calculations on cim alone as well as on cim bonded to an Ag2 metal cluster in presence of water, observing a sufficiently good agreement between experimental and theoretical wavenumbers. Copyright © 2010 John Wiley & Sons, Ltd. 相似文献