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941.
942.
Buttingsrud B Ryeng E King RD Alsberg BK 《Journal of computer-aided molecular design》2006,20(6):361-373
The requirement of aligning each individual molecule in a data set severely limits the type of molecules which can be analysed with traditional structure activity relationship (SAR) methods. A method which solves this problem by using relations between objects is inductive logic programming (ILP). Another advantage of this methodology is its ability to include background knowledge as 1st-order logic. However, previous molecular ILP representations have not been effective in describing the electronic structure of molecules. We present a more unified and comprehensive representation based on Richard Bader's quantum topological atoms in molecules (AIM) theory where critical points in the electron density are connected through a network. AIM theory provides a wealth of chemical information about individual atoms and their bond connections enabling a more flexible and chemically relevant representation. To obtain even more relevant rules with higher coverage, we apply manual postprocessing and interpretation of ILP rules. We have tested the usefulness of the new representation in SAR modelling on classifying compounds of low/high mutagenicity and on a set of factor Xa inhibitors of high and low affinity. 相似文献
943.
三值R_0命题逻辑系统中理论的随机发散度 总被引:3,自引:0,他引:3
在三值R_0命题逻辑系统中,给出了随机相似度和随机逻辑伪距离的基本性质.然后在随机逻辑度量空间中提出了理论的随机发散度,指出全体原子公式之集在随机逻辑度量空间中未必是全发散的,其是否全发散取决于给定的随机数序的分布. 相似文献
944.
The pervasive presence of artificial intelligence (AI) in our everyday life has nourished the pursuit of explainable AI. Since the dawn of AI, logic has been widely used to express, in a human-friendly fashion, the internal process that led an (intelligent) system to deliver a specific output. In this paper, we take a step forward in this direction by introducing a novel family of kernels, called Propositional kernels, that construct feature spaces that are easy to interpret. Specifically, Propositional Kernel functions compute the similarity between two binary vectors in a feature space composed of logical propositions of a fixed form. The Propositional kernel framework improves upon the recent Boolean kernel framework by providing more expressive kernels. In addition to the theoretical definitions, we also provide an algorithm (and the source code) to efficiently construct any propositional kernel. An extensive empirical evaluation shows the effectiveness of Propositional kernels on several artificial and benchmark categorical data sets. 相似文献
945.
纳米磁性逻辑器件具有高抗辐射性、低功率、天然非易失性等优势,应用前景广阔.倾斜放置的纳磁体具有翻转倾向性,在控制时钟撤去后倾斜纳磁体倾向于翻转至长轴的一端.利用倾斜纳磁体的翻转倾向性,提出了一种应力调控的与(或)磁逻辑门,并建立了其动态磁化的数学模型.使用微磁学方法对逻辑门进行了仿真,结果验证了预期逻辑门功能.与现有的逻辑门相比,基于倾斜纳磁体的与(或)门结构具有能耗更低、可靠性更高和制造工艺更简单等优点. 相似文献
946.
Hossein Tavallali Mohammad Ali Karimi Omid Espergham 《International journal of environmental analytical chemistry》2019,99(8):776-795
Herein, we have reported a novel naked eye detection method which is based on the analyte competing for a metal reporter with a chromogenic indicator. This assay is based on the highly specific interaction between the anions and the metal ions and murexide (Mure) probe in a competition assay format. The resulting high sensitivity and selectivity for citrate and carbonate were achieved by changing the metal ions. The indicator is set free due to its displacement from the Mure/Cu2+ complex by citrate (Cit3ˉ) and the change in absorbance may be due to the further complexation of carbonate (CO32ˉ) with the additional coordination sites present in the zinc atom of Mure/Zn2+ complex. The dye-based ensemble systems are expected to be a potential and practical way for the detection of nanomolar concentrations of analytes in 100% aqueous solutions. The chemosensor enabled sensitive and selective detection of Cit3ˉ and CO32ˉ with detection limits of 19.1 and 9.4 nmol L?1, respectively. These systems are simple in design, fast in operation and are more promising than previous methods. This novel method eliminated the need for separation processes, chemical modifications, organic cosolvents, and sophisticated instrumentations. Chiefly, the protocol offers high selectivity for the determination of Cit3ˉ and CO32ˉ among anions found in human urine samples in the presence of some biological species, including K+, Mg2+, Fe3+, Ca2+, Zn2+, Na+, glucose, urea, uric acid and ascorbic acid. Further, NAND and INHIBIT molecular logic gates were obtained using chemical inputs and UV–Vis absorbance signal as the output. 相似文献
947.
自旋(磁)逻辑器件具有数据非易失性、CMOS电路兼容性、操作速度快等优点,是开发计算存储相融合的非冯·诺依曼计算机架构的理想候选方案之一.本文进一步演示基于自旋霍尔效应的自旋逻辑方案.利用自旋霍尔效应不仅能够实现基本的布尔逻辑功能和数据存储功能,还可以利用自旋轨道力矩磁矩翻转的对称性要求、偏置磁场要求等,进一步实现自旋逻辑器件的可编程和多功能特性.利用这些特点,同一自旋霍尔逻辑器件可以实现"与"、"或"、"非"、"与非"、"或非"等功能.因为这些特性,基于自旋霍尔效应的自旋逻辑单元有望成为后续自旋逻辑器件和电路的核心器件,推动后者的持续开发与广泛应用. 相似文献
948.
949.
Introduction
Many algorithms exist for 3D reconstruction of data from freehand 2D ultrasound slices. These methods are based on interpolation techniques to fill the voxels from the pixels. For quantification purposes, segmentation is involved to delineate the structure of interest. However, speckle and partial volume effect errors can affect quantification.Objective
This study aimed to assess the effect of the combination of a fuzzy model and 3D reconstruction algorithms of freehand ultrasound images on these errors.Methods
We introduced a fuzzification step to correct the initial segmentation, by weighting the pixels by a distribution function, taking into account the local gray levels, the orientation of the local gradient, and the local contrast-to-noise ratio. We then used two of the most wide-spread reconstruction algorithms (pixel nearest neighbour (PNN) and voxel nearest neighbour (VNN)) to interpolate and create the volume of the structure. Finally, defuzzification was used to estimate the optimal volume.Validation
B-scans were acquired using 5 MHz and 8 MHz ultrasound probes on ultrasound tissue-mimicking phantoms. Quantitative evaluation of the reconstructed structures was done by comparing the method output to the real volumes. Comparison was also done with classical PNN and VNN algorithms.Results
With the fuzzy model quantification errors were less than 4.3%, whereas with classical algorithms, errors were larger (10.3% using PNN, 17.2% using VNN). Furthermore, for very small structures (0.5 cm3), errors reached 24.3% using the classical VNN algorithm, while they were about 9.6% with the fuzzy VNN model.Conclusion
These experiments prove that the fuzzy model allows volumes to be determined with better accuracy and reproducibility, especially for small structures (<3 cm3). 相似文献950.
An all-optical differential group delay (DGD) monitor for packet-switched networks is proposed. The monitoring approach consists of an integrated active Mach–Zehnder interferometer acting as a logic XOR gate. According to the estimated DGD value, a latching switch is employed to route the input packets “on-the-fly”. The simulation results show a successful operation which has been confirmed with the experimental validation of the XOR-based monitoring subsystem. 相似文献