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991.
Ben Hanson 《European Polymer Journal》2010,46(12):2310-2320
Molecular dynamics simulations were conducted in order to improve our understanding of the forces that determine polyleucine chains conformations and govern polyleucine self-assembly in aqueous solutions. Simulations of 10 repeat unit oligoleucine in aqueous solution were performed using the optimized potential for liquid simulations (OPLS) - all atom force field using the canonical ensemble for a minimum of 1.3 ns. These simulations provided information on conformations, chain collapse and intermolecular aggregation. Simulations indicate that single isotactic oligoleucine chains in dilute solution assume tightly packed, regular hairpin conformations while atactic oligoleucine assumes a much less regular and less compact structure. The regular, compact collapsed isotactic chain exhibited a greater degree of intramolecular hydrogen bonding and an increased level of hydrophobic t-butyl functional group aggregation compared to the atactic chain. This occurs at the expense of reduced leucine-water hydrogen bonding. 相似文献
992.
Shi-Wei Wang Wei Yang Rui-Ying Bao Ben Wang Bang-Hu Xie Ming-Bo Yang 《Colloid and polymer science》2010,288(6):681-688
A kind of β-nucleating agent, calcium pimelate, for polypropylene (PP) was chemically supported onto the surface of multi-wall
carbon nanotubes, and the effect of the multi-wall carbon nanotube-supported β-nucleating agent on the mechanical properties
and morphology of isotactic polypropylene composites was investigated. The composites of isotactic polypropylene and multi-wall
carbon nanotube-supported β-nucleating agent exhibited excellent impact toughness compared with pure isotactic polypropylene
and β-nucleated isotactic polypropylene, being more than seven times over that of pure isotactic polypropylene and more than
three times over that of β-nucleated isotactic polypropylene. The excellent impact behaviors of the composites were also evidenced
by the fracture morphology based on scanning electron microscopy observations. Differential scanning calorimetry and wide-angle
X-ray diffraction results verified the enhanced nucleating ability of the multi-wall carbon nanotube-supported β-nucleating
agent, which greatly improved the impact toughness without significantly deteriorating the strength and stiffness of the polypropylene
composites. 相似文献
993.
Landsberg MJ Ruggles JL Hussein WM McGeary RP Gentle IR Hankamer B 《Langmuir : the ACS journal of surfaces and colloids》2010,26(24):18868-18873
Fluorinated amphipaths are a fascinating class of compounds, which, despite significant challenges associated with their syntheses, have found use across a number of areas of biotechnology. Applications range from the in vitro stabilization of membrane proteins to the development of enhanced stability intravenous drug and gene delivery systems. More recently, monolayer-forming fluorinated lipids have found use in the 2D crystallization of detergent-solubilized hydrophobic or partially hydrophobic proteins at the air-water interface. In this study, we investigate the surface properties of a novel suite of monolayer forming, partially fluorinated lipids. These modular lipid structures contain a densely fluorinated insertion in the hydrocarbon tail and a synthetically modifiable headgroup. Analyses of surface-pressure area isotherms and X-ray reflectometry profiles reveal that the lipids spread into fluid monolayers and are more compressible than their non-fluorinated counterparts. Furthermore, the data support a model whereby the partially fluorinated chains of the lipid tails form a film which is fundamentally incompatible with detergents and other destabilizing amphipaths. 相似文献
994.
Peter Nockemann Dr. Michael Pellens Kristof Van Hecke Dr. Luc Van Meervelt Prof. Dr. Johan Wouters Prof. Dr. Ben Thijs Dr. Evert Vanecht Tatjana N. Parac‐Vogt Prof. Dr. Hasan Mehdi Stijn Schaltin Jan Fransaer Prof. Dr. Stefan Zahn Barbara Kirchner Prof. Dr. Koen Binnemans Prof. Dr. 《Chemistry (Weinheim an der Bergstrasse, Germany)》2010,16(6):1849-1858
A series of nitrile‐functionalized ionic liquids were found to exhibit temperature‐dependent miscibility (thermomorphism) with the lower alcohols. Their coordinating abilities toward cobalt(II) ions were investigated through the dissolution process of cobalt(II) bis(trifluoromethylsulfonyl)imide and were found to depend on the donor abilities of the nitrile group. The crystal structures of the cobalt(II) solvates [Co(C1C1CNPyr)2(Tf2N)4] and [Co(C1C2CNPyr)6][Tf2N]8, which were isolated from ionic‐liquid solutions, gave an insight into the coordination chemistry of functionalized ionic liquids. Smooth layers of cobalt metal could be obtained by electrodeposition of the cobalt‐containing ionic liquids. 相似文献
995.
Hisham Ben Hamidane Aleksey Vorobyev Maud Larregola Aneta Lukaszuk Dirk Tourwé Dr. Solange Lavielle Philippe Karoyan Dr. Yury O. Tsybin Dr. 《Chemistry (Weinheim an der Bergstrasse, Germany)》2010,16(15):4612-4622
We report on the characteristics of the radical‐ion‐driven dissociation of a diverse array of β‐amino acids incorporated into α‐peptides, as probed by tandem electron‐capture and electron‐transfer dissociation (ECD/ETD) mass spectrometry. The reported results demonstrate a stronger ECD/ETD dependence on the nature of the amino acid side chain for β‐amino acids than for their α‐form counterparts. In particular, only aromatic (e.g., β‐Phe), and to a substantially lower extent, carbonyl‐containing (e.g., β‐Glu and β‐Gln) amino acid side chains, lead to N? Cβ bond cleavage in the corresponding β‐amino acids. We conclude that radical stabilization must be provided by the side chain to enable the radical‐driven fragmentation from the nearby backbone carbonyl carbon to proceed. In contrast with the cleavage of backbones derived from α‐amino acids, ECD of peptides composed mainly of β‐amino acids reveals a shift in cleavage priority from the N? Cβ to the Cα? C bond. The incorporation of CH2 groups into the peptide backbone may thus drastically influence the backbone charge solvation preference. The characteristics of radical‐driven β‐amino acid dissociation described herein are of particular importance to methods development, applications in peptide sequencing, and peptide and protein modification (e.g., deamidation and isomerization) analysis in life science research. 相似文献
996.
Yuning Hong Hao Xiong Jacky Wing Yip Lam Dr. Matthias Häußler Dr. Jianzhao Liu Yong Yu Yongchun Zhong Dr. Herman H. Y. Sung Dr. Ian D. Williams Prof. Kam Sing Wong Prof. Ben Zhong Tang Prof. 《Chemistry (Weinheim an der Bergstrasse, Germany)》2010,16(4):1232-1245
Whereas most conventional DNA probes are flat disklike aromatic molecules, we explored the possibility of developing quadruplex sensors with nonplanar conformations, in particular, the propeller‐shaped tetraphenylethene (TPE) salts with aggregation‐induced emission (AIE) characteristics. 1,1,2,2‐Tetrakis[4‐(2‐triethylammonioethoxy)phenyl]ethene tetrabromide (TPE‐ 1 ) was found to show a specific affinity to a particular quadruplex structure formed by a human telomeric DNA strand in the presence of K+ ions, as indicated by the enhanced and bathochromically shifted emission of the AIE fluorogen. Steady‐state and time‐resolved spectral analyses revealed that the specific binding stems from a structural matching between the AIE fluorogen and the DNA strand in the folding process. Computational modeling suggests that the AIE molecule docks on the grooves of the quadruplex surface with the aid of electrostatic attraction. The binding preference of TPE‐ 1 enables it to serve as a bioprobe for direct monitoring of cation‐driven conformational transitions between the quadruplexes of various conformations, a job unachievable by the traditional G‐quadruplex biosensors. Methyl thiazolyl tetrazolium (MTT) assays reveal that TPE‐ 1 is cytocompatible, posing no toxicity to living cells. 相似文献
997.
Akhtar Hussain Jose Gracia Dr. Ben E. Nieuwenhuys? Prof. Dr. J. W. Niemantsverdriet Prof. Dr. 《Chemphyschem》2010,11(11):2375-2382
The chemistry of oxygen, hydrogen, water, and other species containing both oxygen and hydrogen atoms on the anatase TiO2 (001) surface is investigated by DFT. The adsorption energy of atoms and radicals depends appreciably on the position and mode of adsorption, and on the coverage. Molecular hydrogen and oxygen interact weakly with the clean surface. However, H2O dissociates spontaneously to give two nonidentical hydroxyl groups, and this provides a model for hydroxylation of TiO2 surfaces by water. The mobility of the hydroxyl groups created by water splitting is initially impeded by a diffusion barrier close to 1 eV. The O2 adsorption energy increases significantly in the presence of H atoms. Hydroperoxy (OOH) formation is feasible if at least two H atoms are present in the direct vicinity of O2. In the adsorbed OOH, the O? O bond is considerably lengthened and thus weakened. 相似文献
998.
Pijper D Saisaha P de Boer JW Hoen R Smit C Meetsma A Hage R van Summeren RP Alsters PL Feringa BL Browne WR 《Dalton transactions (Cambridge, England : 2003)》2010,39(43):10375-10381
A number of manganese-based catalysts employing ligands whose structures incorporate pyridyl groups have been reported previously to achieve both high turnover numbers and selectivity in the oxidation of alkenes and alcohols, using H(2)O(2) as terminal oxidant. Here we report our recent finding that these ligands decompose in situ to pyridine-2-carboxylic acid and its derivatives, in the presence of a manganese source, H(2)O(2) and a base. Importantly, the decomposition occurs prior to the onset of catalysed oxidation of organic substrates. It is found that the pyridine-2-carboxylic acid formed, together with a manganese source, provides for the observed catalytic activity. The degradation of this series of pyridyl ligands to pyridine-2-carboxylic acid under reaction conditions is demonstrated by (1)H NMR spectroscopy. In all cases the activity and selectivity of the manganese/pyridyl containing ligand systems are identical to that observed with the corresponding number of equivalents of pyridine-2-carboxylic acid; except that, when pyridine-2-carboxylic acid is used directly, a lag phase is not observed and the efficiency in terms of the number of equivalents of H(2)O(2) required decreases from 6-8 equiv. with the pyridin-2-yl based ligands to 1-1.5 equiv. with pyridine-2-carboxylic acid. 相似文献
999.
Quantum Phase Transition of the Bosonic Atoms near the Feshbach Resonance in an Optical Lattice
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The quantum phase transition from the Mott insulator to the superfluid phases of the bosonic atoms trapped in an optical lattice, in which the on-site interaction carl be tuned by a Feshbach resonance, is investigated by a variational approach within mean-field theory. We derive an extended Bos~Hubbard model to describe this ultracold atomic system. By theoretical calculation and analysis, the phase diagram is shown clearly, and we find an exciting and novel phenomenon that is the appearance of the Mort insulator-sea (MI-sea). Meanwhile, the experimental feasibility of observing the MI-sea is discussed by analyzing the published data related to the Fashbaeh resonance at present. Finally, the potential application of the MI-sea for quantum information processing and quantum computation is also discussed in detail 相似文献
1000.
Sonia Ben Abdelkhalek Sami Kallel Octavio Peña 《Journal of magnetism and magnetic materials》2010,322(21):3416-4067
The structural, magnetic and electrical properties of Cr and Fe simultaneously substituted in the perovskite La0.6Sr0.4Mn1−2xCrxFexO3 have been studied. The presence of Cr and Fe had no significant effect on the structural properties. Curie temperature and saturation magnetization decrease with increase in Cr and Fe contents. For x=0.20 and 0.25, a steep drop of zero field-cooled (ZFC) magnetization at low temperature signifies the formation of cluster- or spin-glass state. A weak hysteresis at low fields seems to be an indication of phase separation. All the resulting magnetization curves can be explained by a superposition of both ferromagnetic and antiferromagnetic components. All the samples are semiconducting throughout the temperature range studied. Resistivity can be described by the adiabatic small polaron hopping and the variable range hopping model. It was found that the transport mechanism is dominated by the VRH model with an increase of Mott localization energy, which explains the increase of resistivity. 相似文献