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41.
Konar S Zangrando E Drew MG Mallah T Ribas J Chaudhuri NR 《Inorganic chemistry》2003,42(19):5966-5973
Three new metal-organic polymeric complexes, [Fe(N(3))(2)(bpp)(2)] (1), [Fe(N(3))(2)(bpe)] (2), and [Fe(N(3))(2)(phen)] (3) [bpp = (1,3-bis(4-pyridyl)-propane), bpe = (1,2-bis(4-pyridyl)-ethane), phen = 1,10-phenanthroline], have been synthesized and characterized by single-crystal X-ray diffraction studies and low-temperature magnetic measurements in the range 300-2 K. Complexes 1 and 2 crystallize in the monoclinic system, space group C2/c, with the following cell parameters: a = 19.355(4) A, b = 7.076(2) A, c = 22.549(4) A, beta = 119.50(3) degrees, Z = 4, and a = 10.007(14) A, b = 13.789(18) A, c = 10.377(14) A, beta = 103.50(1) degrees, Z = 4, respectively. Complex 3 crystallizes in the triclinic system, space group P(-)1, with a = 7.155(12) A, b = 10.066(14) A, c = 10.508(14) A, alpha = 109.57(1) degrees, beta = 104.57(1) degrees, gamma = 105.10(1) degrees, and Z = 2. All coordination polymers exhibit octahedral Fe(II) nodes. The structural determination of 1 reveals a parallel interpenetrated structure of 2D layers of (4,4) topology, formed by Fe(II) nodes linked through bpp ligands, while mono-coordinated azide anions are pendant from the corrugated sheet. Complex 2 has a 2D arrangement constructed through 1D double end-to-end azide bridged iron(II) chains interconnected through bpe ligands. Complex 3 shows a polymeric arrangement where the metal ions are interlinked through pairs of end-on and end-to-end azide ligands exhibiting a zigzag arrangement of metals (Fe-Fe-Fe angle of 111.18 degrees) and an intermetallic separation of 3.347 A (through the EO azide) and of 5.229 A (EE azide). Variable-temperature magnetic susceptibility data suggest that there is no magnetic interaction between the metal centers in 1, whereas in 2 there is an antiferromagnetic interaction through the end-to-end azide bridge. Complex 3 shows ferro- as well as anti-ferromagnetic interactions between the metal centers generated through the alternating end-on and end-to-end azide bridges. Complex 1 has been modeled using the D parameter (considering distorted octahedral Fe(II) geometry and with any possible J value equal to zero) and complex 2 has been modeled as a one-dimensional system with classical and/or quantum spin where we have used two possible full diagonalization processes: without and with the D parameter, considering the important distortions of the Fe(II) ions. For complex 3, the alternating coupling model impedes a mathematical solution for the modeling as classical spins. With quantum spin, the modeling has been made as in 2. 相似文献
42.
43.
Michael Drew Kurtz 《Combustion Theory and Modelling》2013,17(6):711-729
In this work, two-dimensional hot spots are modelled by combining a linear temperature gradient with a constant temperature plateau. This approach retains the simplicity of a linear temperature gradient, but captures the effects of a local temperature maximum of finite size. Symmetric and asymmetric plateau regions are modelled using both rectangular and elliptical geometries. A one-step Arrhenius reaction for H2–air is used to model the reactive mixture. Plateaus with different ratios of excitation to acoustic timescales, spanning two orders of magnitude, are simulated. Even with clear differences in behaviour between one and two dimensions, the a priori prescribed hot spot timescale ratio is shown to characterise the 2-D gasdynamic response. The relationship between one and two dimensions is explored using asymmetric plateau regions. It is shown that 1-D behaviour is recovered over a finite time. Furthermore, the duration of this 1-D behaviour is directly related to the asymmetry of the plateau. 相似文献
44.
Igor A. Bolotnov Richard T. Lahey Jr.Donald A. Drew Kenneth E. Jansen 《International Journal of Multiphase Flow》2008
The analysis of turbulent two-phase flows requires closure models in order to perform reliable computational multiphase fluid dynamics (CMFD) analyses. A spectral turbulence cascade-transport model, which tracks the evolution of the turbulent kinetic energy from large to small liquid eddies, has been developed for the analysis of the homogeneous decay of isotropic single and bubbly two-phase turbulence. This model has been validated for the decay of homogeneous, isotropic single and two-phase bubbly flow turbulence for data having a 5 mm mean bubble diameter. The Reynolds number of the data based on bubble diameter and relative velocity is approximately 1400. 相似文献
45.
46.
Colin M. Mcgill Kristian E. Swearingen Kelly L. Drew Brian T. Rasley Thomas K. Green 《Journal of heterocyclic chemistry》2005,42(4):475-481
Naphthalene‐2,3‐dicarbaldehyde (NDA), a reagent used for the fluorescent detection of amino acids in the presence of cyanide, self‐condenses in the presence of cyanide ion and methanol at room temperature to yield a unique crystalline product 2, 15‐hydroxybenzo[g]benzo[6,7]isochromeno[4,3‐c]isochromen‐7(15H)‐one. The product is proposed to result from facile air oxidation of NDA to a methyl ester in combination with benzoin condensation. Product 2 does not to form in the absence of air. The gHMBC spectrum of 2 distinguishes it from a possible alternative isomeric condensation product. 相似文献
47.
Rapid, quantitative, chromatographic separations of mixtures of human haemoglobins have been performed on short (5-20 mm) columns of packing material. The desirable characteristics of suitable column packing materials are illustrated and discussed. Simple, inexpensive, manually operated equipment can be used for the analysis, since the specifically designed midget columns generate little back pressure (10-30 lb/in2) when eluted at constant flow rates up to 2 mL/min. Cation exchange chromatography on bonded silicas has been used for the detection of pathological haemoglobinopathies. Separations similar to the HPLC procedures are possible with the correct selection of buffer composition. It also compares favourably with the methods in common clinical use employing electrophoresis on cellulose acetate. Both ion-exchange and affinity methods for the estimation of glycated haemoglobins have been developed and are compared. 相似文献
48.
The rigid [6]ferrocenophane, L1, was synthesised by condensation of 1,1′-ferrocene dicarbaldehyde with trans-1,2-diaminocyclohexane in high dilution at r.t. followed by reduction. When other experimental conditions were employed, the [6,6,6]ferrocenephane (L2) was also obtained. Both compounds were characterised by single crystal X-ray crystallography. The protonation of L1 and its metal complexation were evaluated by the effect on the electron-transfer process of the ferrocene (fc) unit of L1 using cyclic voltammetry (CV) and square wave voltammetry (SWV) in anhydrous CH3CN solution and in 0.1 M nBu4NPF6 as the supporting electrolyte. The electrochemical process of L1 between −300 and 900 mV is complicated by amine oxidation. On the other hand, an anodic shift from the fc/fc+ wave of L1 of 249, 225, 81 and 61 mV was observed by formation of Zn2+, Ni2+, Pd2+ and Cu2+ complexes, respectively. Whereas Mg2+ and Ca2+ only have with L1 weak interactions and they promote the acid-base equilibrium of L1. This reveals that L1 is an interesting molecular redox sensor for detection of Zn2+ and Ni2+, although the kinetics of the Zn2+ complex formation is much faster than that of the Ni2+ one. The X-ray crystal structure of [PdL1Cl2] was determined and showed a square–planar environment with Pd(II) and Fe(II) centres separated by 3.781(1) Å. The experimental anodic shifts were elucidated by DFT calculations on the [ML1Cl2] series and they are related to the nature of the HOMO of these complexes and a four-electron, two-orbital interaction. 相似文献
49.
Jing Wang Christof Asbach Heinz Fissan Tim Hülser Thomas A. J. Kuhlbusch Drew Thompson David Y. H. Pui 《Journal of nanoparticle research》2011,13(4):1373-1387
Nanotechnology has great potential to transform science and industry in the fields of energy, material, environment, and medicine.
At the same time, more concerns are being raised about the occupational health and safety of nanomaterials in the workplace
and the implications of nanotechnology on the environment and living systems. Studies on environmental, health, and safety
(EHS) issues of nanomaterials have a strong influence on public acceptance of nanotechnology and, eventually, affect its sustainability.
Oversight and regulation by government agencies and non-governmental organizations (NGOs) play significant roles in ensuring
responsible and environmentally friendly development of nanotechnology. The EHS studies of nanomaterials can provide data
and information to help the development of regulations and guidelines. We present research results on three aspects of EHS
studies: physico-chemical characterization and measurement of nanomaterials; emission, exposure, and toxicity of nanomaterials;
and control and abatement of nanomaterial releases using filtration technology. Measurement of nanoparticle agglomerates using
a newly developed instrument, the Universal NanoParticle Analyzer (UNPA), is discussed. Exposure measurement results for silicon
nanoparticles in a pilot scale production plant are presented, as well as exposure measurement and toxicity study of carbon
nanotubes (CNTs). Filtration studies of nanoparticle agglomerates are also presented as an example of emission control methods. 相似文献
50.
Félix R Vázquez-Chona Alex Swan W Drew Ferrell Li Jiang Wolfgang Baehr Wei-Ming Chien Matthew Fero Robert E Marc Edward M Levine 《BMC neuroscience》2011,12(1):1-11