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71.
72.
Fast gas chromatography/negative-ion chemical ionization mass spectrometric (GC/NICI-MS) assay combined with rapid and nonlaborious sample preparation is presented for the simultaneous determination of benzodiazepines and alpha-hydroxy metabolites, zaleplon and zopiclone in whole blood. The compounds were extracted from 100 microl of whole blood by simultaneous multitube, microscale liquid-liquid extraction (LLE) and derivatized by N-methyl-N-(tert-butyldimethylsilyl)trifluoroacetamide (MTBSTFA), without the need for the time-consuming concentration stage. In the analytical separation, various parameters of fast GC/NICI-MS were applied, e.g. the use of hydrogen as a GC carrier gas, a high carrier gas velocity, a small film thickness of the analytical column, fast MS data acquisition, fast temperature ramping, and high initial and final temperatures of GC column. Sensitive identification, screening and quantitation of 18 compounds of interest were achieved in chromatographic separation in only 4.40 min. Accurate and reproducible results were obtained by using five different and carefully selected deuterated analogues on the basis of the chemical properties of the target analytes. Nevertheless, for alpha-OH-midazolam, and for bromazepam and flunitrazepam at low concentrations, the results can be considered only semiquantitative on the basis of the validation data. The extraction efficiencies ranged from 74.3 to 105.7% and the limits of quantitation (LOQ) from 1 to 100 ng ml(-1). Rapid sample preparation and fast chromatographic separation allowed cost-efficient, reliable and high sample-throughput analyses with a low amount of manual work. The method was fully validated and accredited according to EN ISO/IEC 17025 standards and is applicable for sensitive, reliable and quantitative determination of benzodiazepines, zaleplon and zopiclone, e.g. in clinical and forensic toxicology. 相似文献
73.
Electromotive-force measurements of cells without transference were used to determine the dissociation constant of the protonated form of the weak base 2-amino-2-methyl-1, 3-propanediol (Bis) in synthetic seawaters corresponding to salinities of 20, 35, and 45. Hydrogen electrodes and silver-silver chloride electrodes were used, together with standard potentials determined in an earlier investigation. The pK increases in linear fashion with the salinity (S) of the medium, for values of S from 0 to 45. The solvent effect is given by 8.802+0.00378S at 25°C with a mean deviation of 0.001. The medium effect of seawater on H° at 25°C is less than 200 cal-mol–1 and less than 0.2 cal-oK-mol–1 on S°. 相似文献
74.
Hilal SH Saravanaraj AN Whiteside T Carreira LA 《Journal of computer-aided molecular design》2007,21(12):693-708
Mathematical models for predicting the transport and fate of pollutants in the environment require reactivity parameter values
– that is the value of the physical and chemical constants that govern reactivity. Although empirical structure–activity relationships
have been developed that allow estimation of some constants, such relationships are generally valid only within limited families
of chemicals. The computer program, SPARC, uses computational algorithms based on fundamental chemical structure theory to
estimate a large number of chemical reactivity parameters and physical properties for a wide range of organic molecules strictly
from molecular structure. Resonance models were developed and calibrated using measured light absorption spectra, whereas
electrostatic interaction models were developed using measured ionization pKas in water. Solvation models (i.e., dispersion, induction, H-bonding, etc.) have been developed using various measured physical
properties data. At the present time, SPARC’s physical property models can predict vapor pressure and heat of vaporization
(as a function of temperature), boiling point (as a function of pressure), diffusion coefficient (as a function of pressure
and temperature), activity coefficient, solubility, partition coefficient and chromatographic retention time as a function
of solvent and temperature. This prediction capability crosses chemical family boundaries to cover a broad range of organic
compounds. 相似文献
75.
A new liquid-phase microextraction method based on solidification of floating organic drop 总被引:2,自引:0,他引:2
In the present study, a new and versatile liquid-phase microextraction method is described. This method requires very simple and cheap apparatus and also a small amount of organic solvent. Eight microliters of 1-undecanol was delivered to the surface of solution containing analytes and solution was stirred for a desired time. Then sample vial was cooled by inserting it into an ice bath for 5 min. The solidified 1-undecanol was transferred into a suitable vial and immediately melted; then, 2 μL of it was injected into a gas chromatograph for analysis.Some polycyclic aromatic hydrocarbons (PAHs) were used as model compounds for developing and evaluating of the method performance. Analysis was carried out by gas chromatography/flame ionization detection (GC/FID).Several factors influencing the microextraction efficiency, such as the nature and volume of organic solvent, the temperature and volume of sample solution, stirring rate and extraction time were investigated and optimized. The applicability of the technique was evaluated by determination of trace amounts of PAHs in environmental samples. Under the optimized conditions, the detection limits (LOD) of the method were in the range of 0.07-1.67 μg L−1 and relative standard deviations (R.S.D.) for 10 μg L−1 PAHs were <7%. A good linearity (r2 > 0.995) in a calibration range of 0.25-300.00 μg L−1 was obtained. After 30 min extraction duration, enrichment factors were in the range of 594-1940. Finally, the proposed method was applied to the determination of trace amounts of PAHs in several real water samples, and satisfactory results were resulted. Since very simple devices were used, this new technique is affordable, efficient, and convenient for extraction and determination of low concentrations of PAHs in water samples. 相似文献
76.
本文得到了可列值随机变量序列的用不等式表示的强极限定理,即小偏差定理,包含了[1]的结果.[1]中研究的是相对于齐次Markov 链的偏差,而本文允许非齐次的情形. 相似文献
77.
Over the last several years, the number of concepts and technologies enabling the production of environmentally friendly products (including materials, consumables, and services) has expanded. One of these ways is cradle-to-cradle (C2C) certifiedTM. Life cycle assessment (LCA) technique is used to highlight the advantages of C2C and recycling as a method for reducing plastic pollution and fossil depletion by indicating the research limitations and gaps from an environmental perspective. Also, it estimates the resources requirements and focuses on sound products and processes. The C2C life cycle measurements for petroleum-based poly (ethylene terephthalate) (PET) bottles, with an emphasis on different end-of-life options for recycling, were taken for mainland China, in brief. It is considered that the product is manufactured through the extraction of crude oil into ethylene glycol and terephthalic acid. The CML analysis method was used in the LCIA for the selected midpoint impact categories. LCA of the product has shown a drastic aftermath in terms of environmental impacts and energy use. But the estimation of these consequences is always dependent on the system and boundary conditions that were evaluated throughout the study. The impacts that burden the environment are with the extraction of raw material, resin, and final product production. Minor influences occurred due to the waste recycling process. This suggests that waste degradation is the key process to reduce the environmental impacts of the production systems. Lowering a product’s environmental impact can be accomplished in a number of ways, including reducing the amount of materials used or choosing materials with a minimal environmental impact during manufacture processes. 相似文献
78.
Muhammad Rafique Nayyar H. Mirjat Aamir M. Soomro Suhail Khokhar Yong Shuai 《Physics letters. A》2018,382(16):1108-1119
First-principles calculations were performed to investigate the structural, electronic, magnetic and optical properties of nitrogen (N) and magnesium (Mg) atom co-doped graphene systems. We observed that, N and Mg atom co-doping in graphene, introduces half-metallic properties in the electronic structure of graphene, introduces ferromagnetism behavior along with new trends in optical properties of graphene. Doping site and concentration of N and Mg atoms in graphene was changed and resulting effects of these changes on aforementioned properties were investigated. Through density of states plots we observed that, Mg atom sp orbitals mainly induced magnetic moments in graphene. It was revealed that, N/Mg atoms substitution in graphene introduces a red shift in absorption spectrum towards visible range and a finite absorption coefficient quantity value in 0 to 3 eV and 7 to 11 eV energy intervals is also produced, that is unavailable for absorption spectrum of intrinsic graphene. Moreover, N/Mg atoms co-doping produces increment in the reflectivity parameter of graphene in low lying energy region, while producing diminishing behavior in the higher energy range. These results offer a possibility to tune electronic, magnetic and optical characteristics of graphene sufficiently for utilization in graphene based spintronic and optoelectronic devices. 相似文献
79.
In this paper, we study evolution of the universe in the background of f(R, T) gravity using LRS Bianchi type-Ⅰ model. We discuss scale factors as well as deceleration parameter in dark energy dominated era for different bulk viscosity models. The occurrence of big-rip singularity is also examined. It is concluded that expansion is faster when bulk viscosity is proportional to Hubble parameter as compared to other models. 相似文献
80.