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121.
122.
Bixing Fang Lina Dong Xingwei Ding YingZi Ren Zhongsheng Lv Kuan Liu Feng Zhang Wei Zhang Jianjian Deng Hongbo Xin Xiaolei Wang 《中国化学快报》2019,30(6):1178-1181
Black fungus aerogel (BFA) exhibited interesting double-faced properties. Weexplored the diverse properties of each side of the black fungus in three aspects:water contact angle measurements, liquid selective absorption capacity and air pollutant adsorption abilities. 相似文献
123.
电沉积AuInSe2半导体薄膜上的电化学振荡现象 总被引:1,自引:0,他引:1
研究了电沉积制得的AuInSe2半导体薄膜上过氧化氢阴极还原过程中产生的电化学振荡行为,对影响该振荡行为的一些因素如半导体薄膜的后处理、溶液组成、传质、光照、化学浸渍作用等进行了分析,同时采用外界周期性光照和外接小幅度正弦波电位来调节振荡频率,为金铟硒半导体薄膜发展成为光电传感器件提供了一定的理论与实践基础. 相似文献
124.
Tian Yu-Peng Duan Chun-Ying Lu Zhong-Lin You Xiao-Zeng Thomas C.W. Mak 《Polyhedron》1996,15(24):4415-4420
The crystal structure of the 1,10-phenanthroline bis(S-methyl-β-N-(4-methyloxyphenyl)methylendithiocarbazide)nickel(II) adduct, (Ni(SN)2phen) [SN = S-methyl-β-N-(4-methyloxyphenyl)methylendithiocarbazide, PHEN = phenanthroline], has been determined by single crystal X-ray diffraction. The nickel atom is in an octahedral environment, surrounded by two chelating SN ligands and one chelating phen molecule. The nitrogen atoms from phen are in the cis configuration. The other chelating diamines adducts of the parent complex (Ni(SN)2) were also studied, where the chelating diamnies are 5-nitro-1,10-phenanthroline(NO2phen), 2,2′-bipyridine (bipy), 4,4′-methyl-2,2′-bipyridine (Mebipy). The equilibria were determined by UV-vis spectrometry in dichloromethane. The coordination ability of the added ligands were influenced by substitute groupings and steric factors. From the structure and addition equilibrium studies, the possible addition mechanisms are also discussed. 相似文献
125.
The charge transport properties of mer-tris(8-hydroxyquinolinato)aluminum(III) (mer-Alq), which is the most widely used electron transport material in OLED, were investigated by quantum chemistry calculations within the framework of the charge hopping model and Marcus electron transfer theory. Internal reorganization energies of 0.276 and 0.242 eV were calculated by the DFT-B3LYP method employing a 6-31 G* basis set for the electrons lambdai(e) and holes lambdai(h), respectively. The relative distances and orientations of Alq molecules in amorphous film were simulated by those in the beta-phase. The intermolecular charge-transfer integrals, Hda(h) and Hda(e), along all 14 hopping pathways were then calculated by the Koopmans Theorem in conjunction with the Hartree-Fock method employing a 6-31 G* basis set as well as by the direct coupling method. The results showed that there were some Hda(e) that were 1 order of magnitude larger than any Hda(h), because hopping pathways with effective overlaps of LUMOs can occur and, thus, large Hda(e). On the other hand, effective overlap of HOMO was absent in all pathways, resulting in a relatively small Hda(h). This difference in the magnitudes of Hda(e) and Hda(h) would predict a 2 orders of magnitude difference in the electron-transfer rate constants and account for the observed 2 orders of magnitude difference in the mobilities of electrons and holes. 相似文献
126.
水热条件下,合成了三个新的配合物[Ni(en)3] (ndt) ·H2O 1,
[Co(en)3] (ndt) ·H2O 2 和[Mn(en)3] (ndt) ·H2O
3。晶体结构通过X-射线单晶衍射进行了表征。三个配合物均属于单斜晶系,Cc空间群。[M(en)3]2+阳离子、ndt阴离子和结晶水分子通过氢键自组装出相同结构的三维网。通过紫外-可见-近红外漫反射光谱对这三个配合物的光吸收性能和能带进行了测定。 相似文献
127.
Deechongkit S Powers ET You SL Kelly JW 《Journal of the American Chemical Society》2005,127(23):8562-8570
Low molecular weight peptidomimetics with simple amphiphilic sequences can help to elucidate the structures of cross beta-sheet assemblies, such as amyloid fibrils. The peptidomimetics described herein comprise a dibenzofuran template, two peptide strands made up of alternating hydrophilic and hydrophobic residues, and carboxyl termini, each of which can be varied to probe the structural requirements for beta-sheet self-assembly processes. The dibenzofuran template positions the strands approximately 10 A apart, allowing corresponding hydrophobic side chains in the strands to pack into a collapsed U-shaped structure. This conformation is stabilized by hydrophobic interactions, not intramolecular hydrogen bonds. Intermolecular stacking of the collapsed peptidomimetics, enabled by intermolecular hydrogen bonding and hydrophobic interactions, affords 25-27 A wide protofilaments having a cross beta-sheet structure. Association of protofilaments, mediated by the dibenzofuran substructures and driven by the hydrophobic effect, affords 50-60 A wide filaments. These widths can be controlled by changing the length of the peptide strands. Further assembly of the filaments into fibrils or ribbons can be controlled by modification of the template, C-terminus, and buffer ion composition. 相似文献
128.
129.
130.
Renqing Lü 《天然气化学杂志》2005,14(2):119-124
The density functional theory and the cluster model methods have been employed to investigate the interactions between ethanethiol and HZSM-5 zeolites. Molecular complexes formed by the adsorption of ethanethiol on silanol H3SiOH with two coordination forms, model Bronsted acid sites of zeolite cluster H3Si(OH)Al(OH)2SiH3 interaction with ethanethiol, aluminum species adsorbed ethanethiol have been comparatively studied. Full optimization and frequency analysis of all cluster models have been carried out using B3LYP hybrid method at 3-21G basis level for hydrogen atoms and 6-31G(d) basis set level for silicon, aluminum, oxygen, carbon, and sulfur atoms. The structures and energy changes of different coordination forms of H3Si(OH)Al(OH)2SiH3-ethanethiol, silanol-ethanethiol and Al(OH)3-ethanethiol have been studied. The calculated results showed the nature of interactions was van der Waals force as exhibited by not much change in geometric structures and properties. The preference order of ethanethiol adsorbed on HZSM-5 zeolite may be residual aluminum species, bridging hydroxyl groups and silanol OH groups from the adsorption heat. The adsorbed models of protonized ethanethiol on bridging hydroxyl OH groups and linear hydrogen bonded ethanethiol on bridging OH groups suggested in literature might not exist as revealed by this theoretical calculation. Possible adsorption models were obtained for the first time. 相似文献