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551.
Florent M Kaminker I Nagarajan V Goldfarb D 《Journal of magnetic resonance (San Diego, Calif. : 1997)》2011,210(2):192-199
Nitroxide spin probe electron paramagnetic resonance (EPR) has proven to be a very successful method to probe local polarity and solvent hydrogen bonding properties at the molecular level. The g(xx) and the (14)N hyperfine A(zz) principal values are the EPR parameters of the nitroxide spin probe that are sensitive to these properties and are therefore monitored experimentally. Recently, the (14)N quadrupole interaction of nitroxides has been shown to be also highly sensitive to polarity and H-bonding (A. Savitsky et al., J. Phys. Chem. B 112 (2008) 9079). High-field electron spin echo envelope modulation (ESEEM) was used successfully to determine the P(xx) and P(yy) principal components of the (14)N quadrupole tensor. The P(zz) value was calculated from the traceless character of the quadrupole tensor. We introduce here high-field (W-band, 95 GHz, 3.5 T) electron-electron double resonance (ELDOR)-detected NMR as a method to obtain the (14)N P(zz) value directly, together with A(zz). This is complemented by W-band hyperfine sublevel correlation (HYSCORE) measurements carried out along the g(xx) direction to determine the principal P(xx) and P(yy) components. Through measurements of TEMPOL dissolved in solvents of different polarities, we show that A(zz) increases, while |P(zz)| decreases with polarity, as predicted by Savitsky et al. 相似文献
552.
A. R Choudhury K. Nagarajan T. N. Guru Row 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):o644-o647
The crystal structures of 1‐(4‐fluorophenyl)‐2‐phenyl‐4,5,6,7‐tetrahydro‐1H‐indole, C20H18FN, and 1‐(4‐fluorophenyl)‐6,6‐dimethyl‐2‐phenyl‐4,5,6,7‐tetrahydro‐1H‐indole, C22H22FN, have been determined in order to study the role of `organic fluorine' in crystal engineering. These molecules pack in the crystal structure via different types of molecular motifs utilizing weak C—H⋯F and C—H⋯π interactions. 相似文献
553.
Nagarajan Vembu Maruthai Nallu Semih Durmus Matthew Panzner Jered Garrison Wiley J. Youngs 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(4):o248-o251
The structures of the title compounds, C12H8N2O7S and C12H8ClNO5S, contain weak C—H⋯O interactions creating layers of molecules which, taking the conformation of the molecules into account, are arranged in an ABAB sequence. Both structures can be designated, therefore, as ordered racemates of rotameric species. 相似文献
554.
Using the density functional theory (DFT) method, the electronic and mechanical properties of perovskites FeBO3 (B = Ti, Mn, Cr) nanostructures were studied in the pressure range of 0–100 GPa. The band structure studies show the change in the band structure upon substitution of different B cation in FeBO3 perovskite structure. The density of states spectrum gives the perception of change in the electronic properties of FeBO3 with the substitution of B cation. The bulk, shear and Young's moduli were calculated and an increase in the moduli is noticed. Moreover, the hardness increases under high pressure. The high-pressure studies of FeBO3 perovskite nanostructures are explored at atomistic level. The findings show that ductility and hardness of FeBO3 get increased upon an increase in the applied pressure. The substitution of Ti, Mn and Cr on FeBO3 shows a significant change in the electronic and mechanical properties. 相似文献
555.
Soundappan Nagarajan Kalathur Sabdham Vangepuram Srinivasan 《Macromolecular rapid communications》1996,17(4):261-267
Novel block copolymers of poly(ethylene glycol) (PEG) with acrylamide (AAm) and methacrylic acid (MAA) were synthesized using a redox system consisting of ceric ions and PEG in aqueous acidic medium. The molecular weight of PEG in the redox system was varied to obtain a series of block copolymers with differing molecular weights of PEG segment. The polymerization proceeded via macroradical generation, which was substantiated by ESR spectroscopy. This macroradical acted as a redox macroinitiator for the block copolymerization of the vinyl monomers. The formation of the block copolymers was confirmed by fractional precipitation technique. 相似文献
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Generally well-annealed alkali halide crystals exhibit three lifetime components. τ1 arises due to annihilation with anion and τ2 due to Bloch Ps. The origin of τ3 is not well understood. Positron lifetime and etching techniques have been performed on solid solutions of KCl100−xBrx with mole % of x = 0.0, 15, 30, 37, 50, 70, and 100. The positron lifetime spectra have been analysed to resolve into three components. The positron capture rate K3 for the longest lived component and the dislocation density shows a non-linear variation with composition. The positron capture rate varies linearly with the dislocation density of the samples. The origin of τ3 is identified as due to positronium formation in the dislocations present in the samples. The trapping probability per dislocation has been estimated to be 2.2 × 10−12/s. 相似文献