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911.
Predicting logP of pesticides using different software   总被引:1,自引:0,他引:1  
We compared experimental and calculated logP values using a data set of 235 pesticides and experimental values from four different sources: The Pesticide Manual, Hansch Manual, ANPA and KowWin databases. LogP were calculated with four softwares: HyperChem, Pallas, KowWin and TOPKAT. Crossed comparison of the experimental and calculated values proved useful, especially for pesticides. These are harder to study than simpler organic compounds. Structurally they are complex, heterogeneous and similar to drugs from a chemical point of view. They offer an interesting way to verify the goodness of the different methods. Other studies compared several logP predictors using a single set of experimental values taken as a reference. Here we discuss the utility of the different logP predictors, with reference to experimental data found in different databases. This offers three advantages: (1) it avoids bias due to the assumption that one single data set is correct; (2) a given predictor can be developed on the same data set used for evaluation; (3) it takes account of experimental variability and can compare it with the predictor's variability. In our study Pallas and KowWin gave the best results for prediction, followed by TOPKAT.  相似文献   
912.
In order to investigate influences of discharge rates on fluvial transport behavior of elements in the Kuji River, Japan, suspended and dissolved phase concentrations in the river water were measured together with the water flow rates. The concentrations of suspended particulate matter (SPM) increased by two or three orders of magnitude with the water discharge, and also had seasonal variations. Adsorptive elements or heavy metal elements, which tend to form insoluble compounds, were present generally as suspended forms in the river waters, and their dissolved form concentrations tended to increase with the water discharge. On the other hand, non-adsorptive elements such as alkali and alkaline-earth elements were present as dissolved forms under a normal flow rate condition, but equivalent quantity of suspended species also occurred under a high flow condition. In this case, the dissolved form concentrations decreased with the water discharge. Characterization of SPM with analyses of chemical compositions, scanning electron microscopy (SEM) and X-ray diffractometry (XRD) indicated that clay mineral such as montmorillonite would be the main carrier material of trace and major elements during the fluvial transport in the Kuji River. Variations of contents of selected elements in SPM with the water discharge indicated that river bottom sediments, which are probably potential sources of SPM added due to high water flow rates, would be different in chemical compositions from SPM floating under a normal flow condition. Variations of chemical compositions of SPM as well as of suspended or dissolved form concentrations of elements in the river waters were formulated as a function of the water discharge rates.  相似文献   
913.
Regular applications of ammonium nitrate (35-140 kg N ha(-1) year(-1)) and ammonium sulphate (140 kg N ha(-1) year(-1)) to areas of acidic and calcareous grassland in the Derbyshire Peak District over a period of 6 years, have resulted in significant losses in both overall plant cover, and the abundance of individual species, associated with clear and dose-related increases in shoot nitrogen content. No overall growth response to nitrogen treatment was seen at any stage in the experiment. Phosphorus additions to the calcareous plots did however lead to significant increases in plant cover and total biomass, indicative of phosphorus limitation in this system. Clear and dose-related increases in soil nitrogen mineralization rates were also obtained, consistent with marked effects of the nitrogen additions on soil processes. High nitrification rates were seen on the calcareous plots, and this process was associated with significant acidification of the 140 kg N ha(-1) year(-1) treatments.  相似文献   
914.
The anthropogenic radionuclides, (90)Sr, (137)Cs and (239+240)Pu, were measured in the water column of the Japan Sea/East Sea during 1997-2000. The vertical profiles of radionuclide concentrations showed: exponential decrease with depth for (90)Sr and (137)Cs, and surface minimum/subsurface maximum for (239+240)Pu. These results do not differ substantially from results reported previously. The area-averaged concentrations of radionuclides in the Japan Sea are higher than those found in the Northwest Pacific Ocean below surface layer showing the accumulation of the radionuclides in the deep waters in the Japan Sea. Concerning spatial distributions, the area of high (137)Cs inventory extends from the Japan Basin into the Yamato Basin. It is suggested that wintertime convection of water, occurring mainly in the Japan Basin, causes the radionuclides to sink. The nuclides then advect into the Yamato Basin after detouring around the Yamato Rise.  相似文献   
915.
Leaves, stem and bark samples from several plant species were collected from tropical forest of Kaiga, in the west coast of India where two nuclear power reactors of 220 MW each have just been commissioned and another two are under construction, and analysed for their (226)Ra, (40)K and (7)Be concentrations. The activities of (226)Ra and (40)K in plants were found to vary in the range BDL-13.2 and 12.0-797.3 Bq kg(-1), respectively. Plants show significant (7)Be activity in leaves, the activity varies in 72.5-1,060.8 Bq kg(-1). Stem and bark of plants show higher levels of (226)Ra and (40)K when compared to leaves. Soil-to-plant transfer factor for (226)Ra and (40)K were found to vary in the range BDL-0.37 and 0.09-5.61, respectively for different plants. The concentration of (226)Ra and (40)K in leaves depends on the age of the leaves.  相似文献   
916.
This paper compares predictions of the foodchain model SPADE with experimental data for the transfer of (134)Cs and (85)Sr to strawberry plants following acute foliar and soil contamination. The transfer pathways considered in this exercise included direct deposition to fruit, leaf-to-fruit, soil-to-leaf and soil-to-fruit transfers. Following foliar contamination, the difference between predicted and measured radionuclide activity values varied between a factor of 0.5-10 for fruit and 4.5-7 for leaf. Following soil contamination, the difference between predicted and measured values varied between a factor of 3-74 for fruit and 32-44 for leaf. In all cases the difference between measured and predicted values was smaller for (85)Sr than (134)Cs. Measured and predicted activities were higher for leaf than fruit. Both measured and predicted (134)Cs concentrations in fruit and leaf are higher when deposition occurs at ripening than at anthesis. These results confirm the need for more data on fruit, even for Cs and Sr, to support models in predicting the transfer of radionuclides to fruit crops. Ongoing research projects funded by the UK Food Standards Agency aim to provide some data on radionuclide transfer to herbaceous, shrub and tree fruits, which will help improve radiological assessment models in order to provide better protection for consumers.  相似文献   
917.
Gamma-ray spectrometry was used to determine uranium activity and investigate the presence of depleted uranium in soil samples collected from camping sites of the Greek expeditionary force in Kosovo. Assessment of 238U concentrations was based on measurements of the 63.3 keV and 92.38 keV emissions of its first daughter nuclide, 234Th. To determine the isotopic ratio of 238U/235U, secular equilibrium along the two radioactive series was first ensured and thereby the contribution of 235U under the 186 keV peak was deduced. The uranium activity in the samples varied from 48 to 112 Bq kg(-1), whereas the activity ratio of 238U/235U averaged 23.1+/-4.3.  相似文献   
918.
Different areas in the industrial region of Patancheru near Hyderabad, Andhra Pradesh (A.P), India are contaminated with high concentration of arsenic, which is attributed to industrial source like veterinary chemicals, pharmaceuticals, pesticide industries, etc. Fourteen villages of this area of Patancheru were assessed for arsenic contamination by collecting samples of water (surface and ground), soil, fodder, milk, and vegetables. The total arsenic content in the whole blood, urine, hair, and nails of the residents showing arsenical skin lesions and other clinical manifestations were also studied. To understand the bioavailability of arsenic in this environment and its possible entry into human food chain, speciation studies of arsenic was carried out and the results are presented in this paper.  相似文献   
919.
Radon (Rn(222)) levels in an indoor atmosphere of a multi-storey building at Mumbai have been measured for one year covering all the four seasons. Monitoring was carried out using the time-integrated passive detector technique, using Kodak-115 type Solid State Nuclear Track Detector (SSNTD) films of 2.5x2.5 cm size. Measured indoor radon levels showed a decreasing trend with height with concentration ranging from 41 Bq m(-3) at ground floor level to 15 Bq m(-3) at 19th floor level. Using the dose conversion factors, the inhalation dose due to breathing of radon gas is estimated to be 1.03 mSv y(-1) at the ground floor to 0.38 mSv y(-1) at the 19th floor level. Measured indoor radon concentrations on each floor were compared with the computed values using a mathematical model. The agreement between measured values and calculated values of indoor concentrations at different floors was very good within the limitations of various field parameter values.  相似文献   
920.
This paper summarizes the vertical distributions of 22Na, 137Cs, and 60Co above controlled water tables in deep and shallow lysimeters during a four-year experiment. The activity concentration profiles were all determined at the time of harvest of a winter wheat (Triticum aestivum L. cv. Pastiche) crop. Activity concentrations in different crop tissues were determined and crop uptake expressed as both an inventory ratio (IR) and a transfer factor (TFw), weighted to account for root and radionuclide distributions within the soil profile. Experimental variates were subjected to analysis of variance to determine the single and combined effects of the soil depth and the year of the experiment on the results obtained. Each radionuclide showed significant variations in activity concentration with soil depth, but the significance of these variations from year to year was dependent on radionuclide. A distinction in the behavior of weakly sorbed (22Na) and more highly sorbed (137Cs and 60Co) radionuclides was observed. The former exhibited significant variations in its distribution in the soil profile from year-to-year whereas the latter did not. Relatively high TF, values for 22Na were maintained throughout the experiment, whereas for 137Cs and 60Co, the highest TFw values were recorded in 1990 followed by a significant decline in 1991, with TFw remaining low in 1992 and 1993. The TFw values were, in general, significantly higher for deep lysimeters than for shallow lysimeters. This is thought to provide evidence of enhanced radionuclide absorption by the relatively small fraction of roots in the vicinity of the deeper water table.  相似文献   
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