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71.
采用改进的反相高效液相色谱法(RP-HPLC)测定了持久性有机污染物(POPs)包括多环芳烃(PAHs)、多氯二苯并二恶英(PCDDs)、多氯二苯并呋喃(PCDFs)和十溴二苯乙烷(DBDPE)等的正辛醇-水分配系数(logKow)。采用保留时间双点校正法(DP-RTC)校正因色谱柱老化等引起的保留时间漂移。以37种有可靠logKow实验值的苯系物、PAHs、PCDD/Fs类似物为模型化合物,建立了logKow和外推至纯水相的保留因子logkw的定量结构-色谱保留关系(QSRR)模型,回归方程为logKow=(1.18±0.02)logkw+(0.36±0.11),其相关系数(R2)为0.985,交叉验证相关系数(R2cv)为0.983,标准偏差(SD)为0.16。进而,用4个已有可靠logKow实验值的验证化合物(联苯、芴、PCDD 1和PCDF 114)对模型进行了外部验证,表明RP-HPLC测得的logKow值与摇瓶法/慢搅法结果有很好的一致性,尤其是对疏水性强的化合物。采用该模型测定了29种特别受关注的POPs的logKow值,这些化合物的logKow实验值均未见报道。所建立的DP-RTC-HPLC是测定强疏水性POPs的logKow值的一种值得推荐的方法。 相似文献
72.
建立了转Bt基因棉花中Cry杀虫蛋白的提取、样品前处理以及酶联免疫(ELISA)定量分析方法,并使用凝胶电泳、普通聚合酶链式反应(PCR)和实时荧光定量PCR等分子生物学手段对转基因棉花中的Bt基因进行定性和定量检测.所建立的苏云金芽孢杆菌杀虫晶体蛋白(Cry1Ab蛋白和Cry1Ac蛋白)标准曲线线性关系良好,相关系数r2均大于0.999,相对标准偏差RSD均小于2.0%.方法简单、快速、重现性和精密度好,可为农业食品行业和环境领域科研人员提供一种简便快速地从转基因棉花中检测Bt毒蛋白的分析方法. 相似文献
73.
Islam Alshamleh Nina Krause Christian Richter Nina Kurrle Hubert Serve Ulrich L. Günther Harald Schwalbe 《Angewandte Chemie (International ed. in English)》2020,59(6):2304-2308
Current metabolomics approaches utilize cellular metabolite extracts, are destructive, and require high cell numbers. We introduce here an approach that enables the monitoring of cellular metabolism at lower cell numbers by observing the consumption/production of different metabolites over several kinetic data points of up to 48 hours. Our approach does not influence cellular viability, as we optimized the cellular matrix in comparison to other materials used in a variety of in‐cell NMR spectroscopy experiments. We are able to monitor real‐time metabolism of primary patient cells, which are extremely sensitive to external stress. Measurements are set up in an interleaved manner with short acquisition times (approximately 7 minutes per sample), which allows the monitoring of up to 15 patient samples simultaneously. Further, we implemented our approach for performing tracer‐based assays. Our approach will be important not only in the metabolomics fields, but also in individualized diagnostics. 相似文献
74.
Dr. Kai Xue Dr. Riza Dervisoglu Dr. Heidrun Sowa Dr. Loren B. Andreas 《Chemphyschem》2020,21(15):1622-1626
The NMR pulse sequence CODEX (centerband-only detection of exchange) is a widely used method to report on the number of magnetically inequivalent spins that exchange magnetization via spin diffusion. For crystals, this rules out certain symmetries, and the rate of equilibration is sensitive to distances. Here we show that for 13C CODEX, consideration of natural abundance spins is necessary for crystals of high complexity, demonstrated here with the amino acid phenylalanine. The NMR data rule out the C2 space group that was originally reported for phenylalanine, and are only consistent with a larger unit cell containing eight magnetically inequivalent molecules. Such an expanded cell was recently described based on single crystal data. The large unit cell dictates the use of long spin diffusion times of more than 200 seconds, in order to equilibrate over the entire unit cell volume of 1622 Å3. 相似文献
75.
In this paper a comparison is carried out between three correction methods for multigrid local mesh refinement in oceanic applications: FIC, LDC and the direct method (DM) proposed by Spall and Holland. This study is based on a nested primitive equation model developed by Laugier on the basis of the code OPA (LODYC). The external barotropic problem is solved using any of the three local grid correction algorithms yielding an interactive nested grid model. The non-linear elliptic equation for the barotropic streamfunction tendency is solved on two nested grids, called the global and the zoom grid, that interact between themselves. The zoom grid is entirely embedded within the global domain with a horizontal grid step ratio of 3:1. The computation on the global grid supplies the boundary conditions for the zoom grid region and the fine grid fields are used to correct the global coarse solution. The three local correction methods are tested on two problems relevant to oceanic circulation phenomena proposed by Spall and Holland: a barotropic modon and an anticyclonic vortex. The results show that the nesting technique is a very efficient way to solve these problems in terms of a gain in precision compared with the required CPU time. The two-domain model with local mesh refinement allows one both to manage effectively the open boundary conditions for the local grid and to correct the global solution thanks to the zoom solution. In the case of the modon propagation the three local correction methods provide approximately the same results. For the baroclinic vortex it appears that the two iterative methods are more efficient than the direct one. 相似文献
76.
R. WEBSTER 《国际流体数值方法杂志》1996,22(11):1103-1123
An algebraic multigrid scheme is presented for solving the discrete Navier–Stokes equations to second-order accuracy using the defect correction method. Solutions for the driven cavity and asymmetric, sudden expansion test problems have been obtained for both structured and unstructured meshes, the resolution and resolution grading being controlled by global and local mesh refinements. The solver is efficient and robust to the extent that, for problems attempted so far, no underrelaxation of variables has been required to ensure convergence. Provided that the computational mesh can resolve the flow field, convergence characteristics are almost mesh-independent. Rates of convergence actually improve with refinement, asymptotically approaching mesh-independent values. For extremely coarse meshes, where dispersive truncation errors would be expected to prevent convergence (or even induce divergence), solutions can still be obtained by using explicit underrelaxation in the iterative cycle. 相似文献
77.
在超声波流量计测量技术中, 雷诺修正系数相关的研究对于提高计量精度有重要作用. 为研究矩形流道的雷诺修正系数与雷诺数的关系, 对矩形流道在常温常压流量较小情况下进行仿真, 结果发现: 矩形流道层流状态下的雷诺修正系数与雷诺数呈线性相关. 保持压强、体积流量不变, 在不同温度下进行仿真及拟合, 结果表明: 在不同温度下雷诺修正系数与雷诺数的线性关系依然满足. 在上述实验基础上, 对矩形流道湍流状态下的雷诺修正系数与雷诺数关系进行研究, 通过改变温度、压强和体积流量进行仿真及拟合发现, 矩形流道湍流状态下雷诺修正系数与雷诺数呈非线性相关. 相似文献
78.
模型传递用于解析遥感傅里叶变换红外谱图 总被引:2,自引:1,他引:1
基于模型传递的原理,建立了一种可对存在背景干扰,谱峰严重混叠的遥感傅里叶变换红外(remote sensing Fourier transform infrared: RS-FTIR)谱图进行解析的方法。分别用4组分气体混合物的EPA红外标准谱图和RS-FTIR谱图,建立校正和预测模型,经过正交信号校正(OSC)处理后,用EPA红外谱图数据所建立的校正模型,对RS-FTIR谱图数据进行预测,得到的丙酮、甲醇、苯和三氯甲烷的均方根预测误差(RMSEP)分别为:0.008 5,0.018 0,0.064 0,0.002 8。未经OSC处理时的RMSEP依次是0.085 6,0.047 9,1.065 3,0.014 2。经优化,支集选择的方法为Kennard-Stone法,OSC在实现过程中循环次数为3时得到的预测结果最好。研究结果表明,该方法能够克服背景和校正模型给RS-FTIR监测大气污染物带来的制约。 相似文献
79.
厚胶光刻非线性畸变的校正 总被引:3,自引:0,他引:3
利用厚胶光刻技术制作大深度微结构元件是一种有效的途径,但厚胶光刻过程中的非线性畸变对光刻面形质量的严重影响限制了该技术的应用,基于此,提出了一种对掩模透射率函数进行校正的方法。分析空间像形成及其在光刻胶内传递、曝光、显影等过程中非线性因素的影响,利用模拟退火算法对掩模透射率函数进行校正,以提高光刻面形质量,并以凹面柱透镜为例,给出了校正前后的显影轮廓模拟结果,其校正后浮雕面形的体积偏差仅为2.63%。该方法在有效改善面形质量的同时,并没有引起掩模的设计、制作难度及费用增加,这对于设计、制作高质量的微结构元件有重要意义。 相似文献
80.