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61.
Porphyrin–AuIII complexes, which were partially or totally modified with C6F5 at the meso positions, were synthesized. The highly electron‐withdrawing substituents induced electron‐deficient states and Lewis acid properties. Single‐crystal X‐ray analysis of the ion pairs revealed ion‐pairing assemblies with characteristics dependent on the number and substitution pattern of the C6F5 units and the geometries of the anions. 相似文献
62.
Tasuku Onodera Yusuke Morita Michihisa Koyama Nozomu Hatakeyama Hiromitsu Takaba Momoji Kubo Jean-Michel Martin 《Applied Surface Science》2009,256(4):976-979
We investigated the influence of a nanometer scale film structure of a tribofilm generated from zinc dialkyldithiophosphate (ZDDP) anti-wear additive on its mechanical properties using a combined molecular dynamics (MD) and finite element (FE) method. The frictional behavior of an interface between a native iron oxide layer on steel surface and zinc metaphosphate - regarded as a model material of ZDDP tribofilm - was firstly studied using the MD method. The results showed that the iron atoms in the oxide layer diffused into the phosphate layer during the friction process. The zinc atoms in the phosphate layer also diffused into the oxide layer. Significant interdiffusion of iron and zinc atoms was observed with increasing simulation time. Thus, metallic phosphate with a gradient composition of iron and zinc atoms was formed on the phosphate/oxide interface. We then constructed an axisymmetric nanoindentation simulation model from the MD-derived structures at a certain simulation time and carried out a FE calculation. As a result, we found that the rubbed ZDDP tribofilm, including the phosphate with the gradient composition of metallic atoms, showed larger contact stiffness and hardness. The combined MD/FE simulation indicates that the tribofilm becomes stiffer and harder due to the interdiffusion of iron and zinc atoms on the tribofilm/oxide interface. We have found that the gradient composition formation in ZDDP tribofilm during friction process influences on its mechanical properties. 相似文献
63.
Zhigang Zhu Arunabhiram Chutia Hideyuki Tsuboi Nozomu Hatakeyama Hiromitsu Takaba Momoji Kubo 《Journal of Physics and Chemistry of Solids》2009,70(9):1248-258
A theoretical study on Ru-doped rutile SnO2(1 1 0) surface has been carried out by means of periodic density functional theory (DFT) at generalized gradient approximation (GGA-RPBE) level with a periodic supercell approach. Electronic structure analysis was performed based on the band structure and partial density of states. The results provide evidence that the electronic structures of SnO2(1 1 0) surface are modified by the surface Ru dopant, in which Ru 4d orbital are located at the edge of the band gap region. It is demonstrated that molecular oxygen adsorption characteristics on stoichiometric SnO2(1 1 0) surface are changed from endothermic to exothermic due to the existence of surface Ru dopant. The dissociative adsorption of molecular oxygen on the Ru5c/SnO2(1 1 0) surface is exothermic, which indicates that Ru could act as an active site to increase the oxygen atom species on SnO2(1 1 0) surface. Our present study reveals that the Ru dopant on surface is playing both electronic and chemical role in promoting the SnO2 gas-sensing property. 相似文献
64.
Saphwan Al-Assaf Makoto Sakata Catherine McKenna Hiromitsu Aoki Glyn O. Phillips 《Structural chemistry》2009,20(2):325-336
The tendency of polysaccharides to associate in aqueous solution has long been recognised. Molecular associations can profoundly
affect their performance in a given application due to its influence on the molecular weight, shape and size. This will ultimately
determine how the molecules will interact with each other, with other molecules and with water. There are several factors,
such as hydrogen bonding, hydrophobic association, ion mediated association, electrostatic interaction, concentration dependence
and the presence of proteinaceous components, which affect this behaviour. Our objective is to highlight the role of the proteinaceous
component, present in acacia gum, to promote associations when the gum is subjected to various processing treatments such
as maturation, spray drying and irradiation. The results demonstrate the ability of the proteinaceous component to promote
hydrophobic associations which influence the size and proportion of the arabinogalactan high molecular weight component (AGP).
Heat treatment in solid state (maturation) increases the hydrophobic character of the gum and hence its emulsification performance.
Spray drying also involves aggregation through hydrophobic association but changes the surface properties of peptide moieties
to become more hydrophilic compared to the association promoted by the maturation treatment in the solid state. Irradiation
induced cross-linking, in the presence of unsaturated gas, was used to introduce C–C bonds into the carbohydrate moiety and
thus confirms the hydrophobic association prompted by the heat used in the maturation and spray drying. This association can
be reversed by treatments, such as filtration or high pressure homogenisation. The results reported here reconcile the contradiction
about structure of gum arabic proposed by the wattle-blossom and twisted hairy rope models and shows that the AGP fraction
is basically an aggregated fraction made up of AG units stabilized by low molecular weight highly proteinaceous components.
相似文献
Saphwan Al-AssafEmail: |
65.
The beta-fluorinated derivative (2b) of the 1,3-dipyrrolyl-1,3-propanedione BF2 complex has been prepared from 3,4-difluoropyrrole and malonyl chloride, followed by treatment with BF3.OEt2. Despite the simple, acyclic, and neutral structure, 2b exhibits efficient 1:1 binding for anions in CH2Cl2 using the bridging CH and pyrrole NH as interaction sites. The binding constant (Ka) of 2b for acetate (CH3CO(2-)), associating more effectively than anions such as F-, Cl-, Br-, H2PO(4-), and HSO(4-), is estimated to be 9.6 x 10(5) M(-1), approximately 9 times larger than that of the beta-H derivative 2a (1.1 x 10(5) M(-1)). The UV-vis and fluorescence spectral changes of 2b elucidate the effective recognition of an amino acid, such as phenylalanine, in the anionic form; this is also supported by CD spectral changes with mirror images by L- and D-isomers. Furthermore, in the solid state, BF2 complex 2b provides Cl- -bridged supramolecular networks and, in sharp contrast, deprotonated "anionic" self-assembled structures by F- binding. 相似文献
66.
Ryo Onishi Hiromitsu Fuchigami Keigo Matsuda Keiko Takahashi 《Flow, Turbulence and Combustion》2016,97(4):1111-1125
This paper reports on the development of a numerical weather simulation model combined with a detailed spectral-bin cloud microphysics model that can explicitly consider the droplet motion and droplet-atmosphere interactions of sea spray. Sea spray is composed of liquid droplets ejected from the sea surface into the evaporation layer, where it enhances heat as well as momentum exchanges between the atmosphere and the sea. In our study, we analyzed the results of idealized 3D simulations to investigate the impact of sea spray on latent heat exchanges and their consequent impact on boundary layer cloud development. The results show that sea spray enhances the latent heat flux by up to 62 % for the surveyed 10m-height velocities, which ranged from 12 to 42 m/s. They also show that sea spray moistening significantly enhances boundary layer cloud development. 相似文献
67.
68.
Hirai K Uehara H Kitagawa S Furukawa S 《Dalton transactions (Cambridge, England : 2003)》2012,41(14):3924-3927
A series of 1,1'-ferrocenedicarboxylate-based two-dimensional porous coordination polymers were synthesized by incorporating different diamine co-ligands. These compounds immobilized on electrodes, exhibited reversible redox reactions, arising from ferrocenyl moiety. 相似文献
69.
K Ogura M Nishiuchi AS Pirozhkov T Tanimoto A Sagisaka TZh Esirkepov M Kando T Shizuma T Hayakawa H Kiriyama T Shimomura S Kondo S Kanazawa Y Nakai H Sasao F Sasao Y Fukuda H Sakaki M Kanasaki A Yogo SV Bulanov PR Bolton K Kondo 《Optics letters》2012,37(14):2868-2870
Using a high-contrast (10(10):1) and high-intensity (10(21) W/cm(2)) laser pulse with the duration of 40 fs from an optical parametric chirped-pulse amplification/Ti:sapphire laser, a 40 MeV proton bunch is obtained, which is a record for laser pulse with energy less than 10 J. The efficiency for generation of protons with kinetic energy above 15 MeV is 0.1%. 相似文献
70.
Dr. Goki Hirata Prof. Yoichi Kobayashi Dr. Ryuma Sato Prof. Yasuteru Shigeta Dr. Nobuhiro Yasuda Prof. Hiromitsu Maeda 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(37):8797-8804
Heteroleptic PtII complexes comprising π-extended dipyrrins and 2-phenylquinoline were prepared. Single-crystal X-ray analysis disclosed the stepped conformations of two ligand moieties in these PtII complexes. The enantiomers could be separated by HPLC and their configurations were determined from CD spectroscopy results and TD-DFT calculations. Transient absorption measurements revealed excited-state dynamics characterized by fast intersystem crossing and microsecond-order triplet-state lifetimes. 相似文献