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1.
Tapasi Chand Laxmikanta Khamari Deepak Chopra Saptarshi Mukherjee Manmohan Kapur 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(43):e202200723
A one-step Rh-catalyzed site-selective ortho-C−H alkynylation of perylene as well as naphthalene mono- and diimides is reported. A single step regioselective access to ortho-C−H alkynylated derivatives of these ryleneimides not only increases the step economy of the ortho-functionalization on these dyes but also provides a quick access route towards highly functionalized dyes that have potential optoelectronic applications. Increased solubility of tetra(triisopropylsilyl)acetylenyl PDIs in organic solvents greatly enhances their utility for further derivatization. 相似文献
2.
Mesoscopic modeling at the pore scale offers great promise in exploring the underlying structure transport performance of flow through porous media. The present work studies the fluid flow subjected to capillarity-induced resonance in porous media characterized by different porous structure and wettability. The effects of porosity and wettability on the displacement behavior of the fluid flow through porous media are discussed. The results are presented in the form of temporal evolution of percentage saturation and displacement of the fluid front through porous media. The present study reveals that the vibration in the form of acoustic excitation could be significant in the mobilization of fluid through the porous media. The dependence of displacement of the fluid on physicochemical parameters like wettability of the surface, frequency along with the porosity is analyzed. It was observed that the mean displacement of the fluid is more in the case of invading fluid with wetting phase where the driving force strength is not so dominant. 相似文献
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Electron mobility has been calculated in a number of binary II–VI compound semiconductors using a displaced Maxwellian distribution function and taking the various scattering mechanisms into consideration at different lattice temperatures and for various amounts of ionized impurity concentrations. It is observed that the low field mobility values can be expressed by a cubic power relationship with lattice temperature and with ionized impurity concentration using a least mean square fit technique with an accuracy better than 5 per cent. Similarly, the field dependence of mobility can also be expressed as a power series of the applied electric field. It is suggested that these equations can be profitably used for a quick estimation of mobility values as a check on experiments and also as sufficiently accurate formulae for simulation and modelling purposes. 相似文献
6.
B. Saha S. Bhattacharyya T. K. Mukherjee P. K. Mukherjee 《International journal of quantum chemistry》2003,92(5):413-418
In the framework of nonrelativistic variational formalism a new type of basis set is proposed, to estimate separately the effect of radial and angular correlations on the ground‐state energy for helium isoelectronic sequence H? to Ar16+. Effect of radial correlation is incorporated by using multiexponential functions arising from product basis sets suitably formed out of Slater‐type one‐particle orbitals. The angular correlation can be switched on by incorporating an expansion in terms of basis involving interparticle coordinates. With a set of six‐term Slater‐type one‐particle basis and five‐term interparticle expansion, the ground‐state energy of helium is estimated as ?2.9037236 (a.u.) compared with the multiterm variational estimates ?2.9037244 (a.u.) due to Pekeris and Thakkar and Smith and Drake. Matrix elements of different operators in the ground state have been calculated and found to be in good agreement with available accurate results. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2003 相似文献
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K. Dasgupta P. Barat A. Sarkar P. Mukherjee D. Sathiyamoorthy 《Applied Physics A: Materials Science & Processing》2007,87(4):721-726
The use of graphite as a moderator in a low temperature thermal nuclear reactor is restricted due to accumulation of energy
caused by displacement of atoms by neutrons and high energetic particles. Thermal transients may lead to a release of stored
energy that may raise the temperature of the fuel clad above the design limit. Disordered carbon is thought to be an alternative
choice for this purpose. Two types of disordered carbon composites, namely, CB (made up of 15 wt. % carbon black dispersed
in carbonized phenolic resin) and PAN (made up of 20 vol. % chopped polyacrylonitrile carbon fibre dispersed in carbonized
phenolic resin matrix) have been irradiated with 145 MeV Ne6+ ions at three fluence levels of 1.0×1013, 5.0×1013 and 1.5×1014 Ne6+/cm2, respectively. The XRD patterns revealed that both the samples remained disordered even after irradiation. The maximum release
of stored energy for CB was 212 J/g and that of PAN was 906 J/g. For CB, the release of stored energy was a first order reaction
with activation energy of 2.79 eV and a frequency factor of 3.72×1028 per second. 13% of the defects got annealed by heating up to 700 °C. PAN showed a third-order release rate with activation
energy of 1.69 eV and a frequency factor of 1.77×1014 per second. 56% of the total defects got annealed by heating it up to 700 °C. CB seems to be the better choice than PAN as
it showed less energy release with a slower rate.
PACS 61.80.Jh; 61.80.-x; 61.43Er; 61.43.-j; 68.43.Vx 相似文献
9.
The synthesis of several analogues of (±)-semivioxanthin including five thiophene analogues, using directed metalation are reported. The strategy consisted of the synthesis of functionalized naphthalene or benzo[b]thiophene as building blocks followed by annelation of the pyrone. 相似文献
10.
From flash photolysis data of benzil and 2,2′-dichlorobenzil, the role of conformeric triplets in the formation of hydrogen
adduct radicals has been discussed. The planar relaxed triplet absorbing at 470 nm is less efficient in forming a hydrogen
adduct radical as compared to its puckered conformeric partner. Among the hydrogen donors, triethyl amine and isopropanol,
the former is more efficient in converting puckered triplets and less efficient in the case of planar conformers. Absorptions
of radicals and radical anions of 2,2′-dichlorobenzil appear at 355 nm and 460 nm respectively. These are blue-shifted as
compared to those of the parent compound benzil appearing at 370 nm and 540 nm, respectively. This blue-shift has been discussed
in terms of steric hindrance due to ortho-substitution. 相似文献