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941.
We define two transforms of non‐conformal harmonic maps from a surface into the 3‐sphere. With these transforms one can construct, from one such harmonic map, a sequence of harmonic maps. We show that there is a correspondence between harmonic maps into the 3‐sphere, H‐surfaces in Euclidean 3‐space and almost complex surfaces in the nearly Kähler manifold . As a consequence we can construct sequences of H‐surfaces and almost complex surfaces. 相似文献
942.
A new method was proposed for the accurate determination of mercury in cosmetic samples based on isotopic dilution (ID)-photochemical vapor generation (PVG)-inductively coupled plasma mass spectrometry (ICP MS) measurement. Cosmetic samples were directly dissolved in formic acid solution and subsequently subjected to PVG for the reduction of mercury into vapor species following by ICP MS detection. Therefore, the risks of analyte contamination and loss were avoided. Highly enriched 201Hg isotopic spike is added to cosmetics and the isotope ratios of 201Hg/202Hg were measured for the quantitation of mercury. With ID calibration, the influences originating from sample matrixes for the determination of mercury in cosmetic samples have been efficiently eliminated. The effects of several experimental parameters, such as the concentration of the formic acid, and the flow rates of carrier gas and sample were investigated. The method provided good reproducibility and the detection limits were found to be 0.6 pg mL−1. Finally, the developed method was successfully applied for the determination of mercury in six cosmetic samples and a spike test was performed to verify the accuracy of the method. 相似文献
943.
Xiaobo He Jinghui Lyu Hu Zhou Guilin Zhuang Xing Zhong Jian‐Guo Wang Xiaonian Li 《International journal of quantum chemistry》2014,114(14):895-899
The adsorption mode of aromatic molecules on transition metal surfaces plays a key role in their catalytic transformation. In this study, by means of density functional theory calculations, we systematically investigate the adsorption of p‐chloroaniline on a series of Pd surfaces, including stepped surfaces, flat surfaces, and clusters. The adsorption energies of p‐chloroaniline on these substrates [Pd(221), Pd(211), Pd(111), Pd(100), Pd13‐icosahedral, Pd13‐cubo‐octahedron, Pd55] are ?1.90, ?2.13, ?1.70, ?2.11, ?2.53, ?2.65, ?2.23 eV, respectively. Benzene ring is adsorpted on catalyst rather than amine group in p‐chloroaniline molecular. A very good linear relationship is further found between the adsorption energies of p‐chloroaniline and the d‐band center of both Pd surfaces and clusters. The lower of d‐band center of Pd models, the stronger adsorption of p‐chloroaniline on catalysts. In addition, the frontier molecular orbital and density of states analysis explain the adsorption energy sequence: cluster Pd13 > stepped Pd(221) surface > flat Pd(111) surface. © 2014 Wiley Periodicals, Inc. 相似文献
944.
L.O. Leal 《Trends in analytical chemistry : TRAC》2011,30(5):761-770
This review outlines automated methodologies developed for measuring arsenic in environmental samples. We report the state of the art of the most significant methods exploiting multicommutation flow techniques coupled to hydride generation-atomic fluorescence determination. We review analytical methods used and present a comparative evaluation of them. We also discuss the on-line pre-concentration procedure as being of particular interest in the development of fully automated methods. 相似文献
945.
A new scheme, called "list of nonredundant bonds", is presented to record the number of bonds and their positions for the atoms involved in Kekulé valence structures of (poly)cyclic conjugated systems. Based on this scheme, a recursive algorithm for generating Kekulé valence structures has been developed and implemented. The method is general and applicable for all kinds of (poly)cyclic conjugated systems including fullerenes. The application of the algorithm in generating Valence Bond (VB) wave functions, in terms of Kekulé valence structures, is discussed and illustrated in actual VB calculations. Two types of VBSCF calculations, one involving Kekulé valence structures only and the second one involving all covalent VB structures, were performed for benzene, pentalene, benzocyclobutadiene, and naphthalene. Both strictly local and delocalised p-orbitals were used in these calculations. Our results show that, when the orbitals are restricted to their own atoms, other VB structures (Dewar structures) also have a significant contribution in the VB wave function. When removing this restriction, the other VB structures (Dewar and also the ionic structures) are accommodated in the Kekulé valence structures, automatically. Therefore, at VBSCF delocal level, the ground states of these systems can be described almost quantitatively by considering Kekulé valence structures only at a considerable saving of time. 相似文献
946.
947.
Diagnosis of lubricating oil by evaluating cyanide and carbon molecular emission lines in laser induced breakdown spectra 总被引:1,自引:0,他引:1
I.Y. Elnasharty A.K. Kassem M. Sabsabi M.A. Harith 《Spectrochimica Acta Part B: Atomic Spectroscopy》2011,66(8):588-593
To prevent engine failure it is essential to change lubricating oil regularly before it loses its protective properties. It is also necessary to monitor the physical and chemical conditions of the oil to reliably determine the optimum oil-change intervals. The present work focuses on studying evolution of the cyanide (CN) and carbon (C2) molecular spectral emission lines in the laser induced breakdown spectra of lubricating oil as a function of its consumption. The intensities of these molecular bands have been taken as indicator of engine oil degradation at certain mileage. Furthermore, the percentage of decay of CN and C2 integral intensity values at the corresponding mileage was calculated in order to relate it to the degree of consumption of the motor oil. Such percentage decay of the CN and C2 integral intensities have been found to increase gradually with increasing mileage which is accompanied with increasing depletion of engine oil. The results of using LIBS technique in the present measurements proved that it is possible to have a direct, straightforward and easy method for prediction of lubricating oil degree of consumption. This may facilitate scheduling the proper time and/or mileage intervals for changing the oil to avoid any possibility of engine failure. 相似文献
948.
The alkylation of metalloids through the transfer of methyl groups is an important factor in the biogeochemical cycling of elements like arsenic and antimony. In the environment, many different organic and inorganic forms of these elements can therefore be found in soils, sediments or organisms. Studies that compare the ecotoxicity of these different chemical species however are rare. Therefore, this study aimed to generate toxicity data on two scarcely studied organic compounds of arsenic and antimony, as well as to compare their toxicity to the inorganic species, which are studied so far to a higher extent, in order to improve the environmental effect assessment of these elements. To this purpose, bioassays were performed in which three different aquatic organisms (the floating water plants Lemna minor and Wolffia arrhiza and the green alga Selenastrum capricornutum) were exposed to a concentration series of 3 different arsenic species (sodium arsenite — As(III), sodium arsenate — As(V), and monomethylarsonous diiodide — MMAs(III)) and three different antimony species (antimony potassium tartrate hydrate — Sb(III), potassium hexahydroxoantimonate — Sb(V), trimethylantimony(V) bromide — TMSb(V). The observed effect concentrations demonstrated that the inorganic (III)- and (V)-valent species of arsenic were clearly more toxic than the corresponding antimony species. The highest overall toxicity has been shown by MMAs(III) followed by the inorganic As(III). The highest toxicity of the three tested antimony species has been observed for TMSb(V). The observed differences in effect levels stress the importance once more that speciation must not be ignored in toxicity studies. 相似文献
949.
A new intermetallic compound,Tb3Co4Sn13,has been synthesized by solid-state reaction of the corresponding pure elements in a welded tantalum tube at high temperature.Its crystal structure was established by single-crystal X-ray diffraction.Tb3Co4Sn13 crystallizes in cubic,space group Pm3n(No.223) with a = 9.5072(2) ,V = 859.33(3) 3,Z = 2,Mr = 2255.45,Dc = 8.717 g/cm3,μ = 34.369 mm-1,F(000) = 1906,and the final R = 0.0140 and wR = 0.0312 for 199 observed reflections with I > 2σ(I).The structure of Tb3Co4Sn13 belongs to the Yb3Rh4Sn13 type.It is isostructural with RE3Co4Sn13(RE = La,Ce),featuring a 3D [Co4Sn12] framework based on [CoSn6] trigonal prisms.The [CoSn6] trigonal prisms are interconnected via corner-sharing and Sn-Sn bonds to form a 3D [Co4Sn12] framework.The other Sn and Tb atoms are located in the spacers of the 3D framework.Band structure calculations indicate that Tb3Co4Sn13 is metallic. 相似文献
950.
We studied the co-adsorption of hydrogen molecule and ions (Li,K,Mg,Ca) inside the single-walled carbon nanotubes (SWNTs) by using density-functional theory (DFT).The band structures (BS),density of states (DOS),charge transfer and difference charge density are presented.We discussed the interaction between the ions (Li,K,Mg,Ca) and H 2.Meanwhile,the binding energy indicates that ionization can increase the adsorption energy of H 2 in CNT. 相似文献