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21.
Nahomi Sakaguchi Keiji Yamada Shuji Matsuo Taku Matsuo Hisanobu Wakita 《Research on Chemical Intermediates》2006,32(2):171-182
Surface modification of TiO2 powders with lanthanide salts (EuCl3 or YbCl3) enhanced photocatalytic decomposition of ATP. In comparison with the unmodified catalyst, a 3-fold increase in the ATP decay
rate was observed with TiO2 powders as prepared in 5 mM EuCl3 (or YbCl3) solution. The reason was ascribed to enrichment of ATP to TiO2 powder with the lanthanide ions. Evidence was obtained by adsorption experiments where ATP concentration was monitored after
dispersing TiO2 powders into the solution. The ATP molecules adsorbed faster to TiO2 powder and strongly stabilized there in the presence of Yb3+ than otherwise. 相似文献
22.
The nature of the 1,3 hydrogen rearrangement of formamidine (H2N-CH=NH) and the solvent effects on that reaction are studied with ab initio molecular orbital calculations on the basis of the supermolecule model. The reaction path and the motion of the migrating hydrogen atom are traced by using the concept of the intrinsic reaction coordinate (IRC). Four types of orientation of one water molecule to formamidine at the transition state of reaction are examined and the results are discussed from the standpoint of the orbital interactions. 相似文献
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24.
H. -L. Li Y. Ujihira S. Tanaka T. Yamashita K. Horie 《Journal of Radioanalytical and Nuclear Chemistry》1996,210(2):543-553
Positron annihilation lifetime measurements of PMMA, PEMA, PiPMA, PnPMA and PnBMA were performed in the temperature range between 15 and 300 K, where , and relaxational transitions occur for these polyalkylmethacrylates. The variations of free volume size and content calculated from the longest lifetime component against temperature are correlated to the results obtained by dielectric, viscoelastic and dynamic mechanical relaxation data of the polymers. The variations of free volume sizes and contents, apparent free volume fraction and size distribution of the polyalkylmethacrylates are well correlated with the rotational transitions of side chains. The location of free volumes, in which positronium annihilates can be estimated near the vicinity of alkyl groups bound to oxygen atom of side ester chains. 相似文献
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26.
Abstract— Preparative methods for forming chlorophyll a multilayers on glass plates were re-investigated in relation to deposition ratios, and by checking the stability of chlorophyll u in the multilayers spectrophotometrically and by thin-layer chromatography. The methods for measuring deposition ratios were also re-examined and the best conditions selected. 相似文献
27.
28.
J. Nishimura Y. Ishida M. Mimura N. Nakazawa S. Yamashita 《Journal of polymer science. Part A, Polymer chemistry》1980,18(7):2061-2070
Polymerization of 1,3-bis(p-vinylphenyl) propane (St-C3-St) was investigated by using radical and anionic initiators. Radical polymerization yielded linear polymer with pendant styryl groups in pertinent conditions without gelation. Anionic polymerization with n-butyllithium and sodium naphthalene produced insoluble polymers that, according to infrared (IR) spectroscopy, had no cyclized units. On the other hand, phenylmagnesium bromide gave soluble polymer in HMPA-benzene mixed solvent. Zero-valent nickel catalyst also gave soluble polymer. The soluble polymers could be analyzed by several spectroscopies, and it was confirmed that those obtained by anionic and coordination polymerization had no [3.3]paracyclophane units in the main chain. From these results it was concluded that cationic propagation could be assumed if the polymer Of St-C3-St contained [3.3]paracyclophane units in the main chain. 相似文献
29.
Sontaya Limmatvapirat Etsuo Yonemochi Toshio Oguchi Keiji Yamamoto 《Journal of inclusion phenomena and macrocyclic chemistry》1998,31(4):367-379
A complex between deoxycholic acid (DCA) and salicylic acid (SA) was prepared by grinding and coprecipitation methods. The resultant complex was characterized by means of powder X-ray diffractometry, IR spectroscopy and thermal analysis. The stoichiometry (DCA : SA 1 : 1) of the complex obtained by grinding was identical to that obtained by coprecipitation. The powder X-ray diffraction pattern of the DCA–SA complex differed from the typical pattern of DCA–guest complexes such as DCA–camphor and DCA–phenanthrene complexes. IR spectra suggested that a different kind of hydrogen bonding was formed in the crystal of the DCA–SA complex, compared with the other DCA–guest complexes. This was in good agreement with data from the crystal structure. 相似文献
30.
The reliability of the two-layer own N-layered integrated molecular orbital and molecular mechanics (ONIOM) method was examined for the SN2 reaction CH(4–n)Cln+OH–. In the ONIOM calculation, only the methyl chloride and OH–were treated at a high level and the effect of polychlorination was taken into account only at a low level. The ONIOM results were compared with the target CCSD(T)/aug-cc-pVDZ//MP2/aug-cc-pVDZ results obtained by Borisov etal. [(2001) J. Phys. Chem. A 105:7724]. The ONIOM[MP2/aug-cc-pVDZ:B3LYP/6-31+G(d)] was found to reproduce well the target geometry and energy at the MP2/aug-cc-pVDZ level. The single-point improved energetics at the ONIOM[CCSD(T)/aug-cc-pVDZ:MP2/6-31+G(d)] is found to give results nearly as accurate as the target CCSD(T)/aug-cc-pVDZ//MP2/aug-cc-pVDZ results. The substantially reduced cost, 20% for optimization and 5% for single-point improved energy of the target cost for n=4, as well as small errors suggest that ONIOM is a powerful tool for accurate potential-energy surfaces of the reaction of large polyhalohydrocarbons. 相似文献