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931.
A conformational study on the terminally blocked proline oligopeptides, Ac-(Pro)(n)()-NMe(2) (n = 2-5), is carried out using the ab initio Hartree-Fock level of theory with the self-consistent reaction field method in the gas phase and in solutions (chloroform, 1-propanol, and water) to explore the preference and transition between polyproline II (PPII) and polyproline I (PPI) conformations depending on the chain length, the puckering, and the solvent. The mean differences in the free energy per proline of the up-puckered conformations relative to the down-puckered conformations for both diproline and triproline increases for the PPII-like conformations and decreases for the PPI-like conformations as the solvent polarity increases. These calculated results indicate that the PPII-like structures have preferentially all-down puckerings in solutions, whereas the PPI-like structures have partially mixed puckerings. The free energy difference per proline residue between the PPII- and PPI-like structures decreases as the proline chain becomes longer in the gas phase but increases as the proline chain becomes longer in solutions and the solvent polarity increases. In particular, our calculated results indicate that each of the proline oligopeptides can exist as an ensemble of conformations with the trans and cis peptide bonds in solutions, although the PPII-like structure with all-trans peptide bonds is dominantly preferred, which is reasonably consistent with the previously observed results. In diproline Ac-(Pro)(2)-NMe(2), the rotational barrier to the cis-to-trans isomerization for the first prolyl peptide bond increases as the solvent polarity increases, whereas the rotational barrier for the second prolyl peptide bond does not show the monotonic increase as the solvent polarity increases. When the rotational barriers for these two prolyl peptide bonds were compared, it could be deduced that the conformational transition from PPI with the cis peptide bond to PPII with the trans peptide bond is initiated at the C-terminus and proceeds to the N-terminus in water. This is consistent with the results from NMR experiments on polyproline in D(2)O but opposite to the results from enzymatic hydrolysis kinetics experiments on polyproline. 相似文献
932.
In this article we introduce a method of constructing binary linear codes and computing their weights by means of Boolean functions arising from mathematical objects called simplicial complexes. Inspired by Adamaszek (Am Math Mon 122:367–370, 2015) we introduce n-variable generating functions associated with simplicial complexes and derive explicit formulae. Applying the construction (Carlet in Finite Field Appl 13:121–135, 2007; Wadayama in Des Codes Cryptogr 23:23–33, 2001) of binary linear codes to Boolean functions arising from simplicial complexes, we obtain a class of optimal linear codes and a class of minimal linear codes. 相似文献
933.
Beom Soo Shin Seok Hyun Hong Sang Wook Hwang Hyoung Jun Kim Jong Bong Lee Hae‐Seong Yoon Do Jung Kim Sun Dong Yoo 《Biomedical chromatography : BMC》2009,23(9):1014-1021
Zearalenone, a mycotoxin biosynthesized by various Fusarium fungi, is widely found as a contaminant in grains and animal feeds. This study describes a rapid and sensitive LC/MS/MS assay method for the quantification of zearalenone in rat serum. The assay was validated to demonstrate the specificity, linearity, recovery, lower limit of quantification (LLOQ), accuracy and precision. The multiple reaction monitoring was based on the transition of m/z 317.0 → 130.9 for zearalenone and 319.0 → 204.8 for zearalanone (internal standard). The assay utilized a single liquid–liquid extraction with t‐butyl methyl ether and isocratic elution, and the LLOQ was 0.5 ng/mL using 0.1 mL rat serum. The assay was linear over a concentration range from 0.5 to 200 ng/mL, with correlation coefficients >0.9996. The mean intra‐ and inter‐day assay accuracy was 101.2–112.9 and 96.3–108.0%, respectively. The mean intra‐ and inter‐day precision was between 1.3–7.6 and 3.6–10.6%, respectively. The developed assay was applied to a pharmacokinetic study after a bolus intravenous injection of zearalenone in rats. Copyright © 2009 John Wiley & Sons, Ltd. 相似文献
934.
Back Cover: Reconfigurable Photonic Capsules Containing Cholesteric Liquid Crystals with Planar Alignment (Angew. Chem. Int. Ed. 50/2015) 下载免费PDF全文
935.
936.
Ji‐Ye Kang Soo‐Mi Eo In‐Yup Jeon Yeong Suk Choi Loon‐Seng Tan Jong‐Beom Baek 《Journal of polymer science. Part A, Polymer chemistry》2010,48(5):1067-1078
The AB‐monomer, 3,4‐diaminobenzoic acid dihydrochloride, was recrystallized from an aqueous hydrochloric acid solution and used to synthesize high‐molecular‐weight poly(2,5‐benzimidazole) (ABPBI). ABPBI/carbon nanotube (CNT) composites were prepared via in situ polymerization of the AB‐monomer in the presence of single‐walled carbon nanotube (SWCNT) or multiwalled carbon nanotube (MWCNT) in a mildly acidic polyphosphoric acid. The ABPBI/SWCNT and ABPBI/MWCNT composites displayed good solubility in methanesulfonic acid and thus, uniform films could be cast. The morphology of these composite films was studied by X‐ray diffraction, scanning electron microscopy, transmission electron microscopy, and atomic force microscopy. The results showed that both types of CNTs were uniformly dispersed into the ABPBI matrix. Tensile properties of the composite films were significantly improved when compared with ABPBI, and their toughness (~200 MPa) was close to the nature's toughest spider silk (~215 MPa). The electrical conductivities of ABPBI/SWCNT and ABPBI/MWCNT composite films were 9.10 × 10?5 and 2.53 × 10?1 S/cm, respectively, whereas that of ABPBI film was 4.81 × 10?6 S/cm. These values are ~19 and 52,700 times enhanced by the presence of SWCNT and MWCNT, respectively. Finally, without acid impregnation, the ABPBI film was nonconducting while the SWCNT‐ and MWCNT‐based composites were proton conducting with maximum conductivities of 0.018 and 0.017 S/cm, respectively. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 48: 1067–1078, 2010 相似文献
937.
Chemical investigation of the aerial part of Leonurus japonicus led to the isolation and characterization of a new labdane‐type diterpene, named 3α‐acetoxy‐15‐O‐methylleopersin C ( 3 ), and a new acylated rutin derivative, named 2′′′‐syringylrutin ( 9 ), along with seven known compounds, including a labdane‐type diterpene and six flavonoids. The structures of the new compounds were established by spectroscopic methods. 相似文献
938.
939.
Chang Suk Kong Se Jin Choi Hyun Seok Lee 《Journal of Macromolecular Science: Physics》2016,55(2):201-210
Electrospinning is regarded as an effective method to generate nanoscale fibers. However, we believe that the mechanism of the formation of nanoscale fibers by Electrospinning has not yet been fully investigated. In this study, the jet behavior under various conditions was observed with a high-speed camera with short exposure periods. The behaviors of stable and unstable jets were compared. The effect of bending instability on the deposition pattern of jets was examined at different voltages and concentrations. In addition, the diameters of nanoscale fibers were analyzed as a function of sampling position. 相似文献
940.