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1.
Indranath Mukhopadhyay 《Journal of Infrared, Millimeter and Terahertz Waves》2003,24(4):473-499
In this paper, a Model of the Hamiltonian function is reviewed for the slightly asymmetric class of molecules, which is the most successful so far, according to our present knowledge. This model does not have the redundancy problem suffered by previous models. The observed frequencies are calculated to within experimental accuracy. In our subsequent papers we will show the application of this model for the prediction and quantum number assignments of optically pumped far infrared lasers and thereby increasing the possibility of new lines in the region of the spectrum which severely lacks enough monochromatic sources. We will also show that this model is capable of calculating even MMW transitions for the second excited state of methanol. All the previous models consider transitions up to the first excited torsional state. 相似文献
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Mandal Tarun K.; Mukhopadhyay Chaitali 《Protein engineering, design & selection : PEDS》2002,15(12):979-986
Galectins show remarkable binding specificity towards ß-galactosides.A recently developed method for calculating binding free energiesbetween a protein and its substrates has been used to evaluatethe binding specificity of galectin-3. Five disaccharides anda tetrasaccharide were used as the substrates. The calculatedbinding free energies agree quite well with the experimentaldata and the ranking of binding affinities is well reproduced.For all the six proteinligand complexes it was observedthat electrostatic interactions oppose binding whereas the non-polarcontributions drive complex formation. The observed bindingspecificity of galectin-3 for galactosides rather than glucosidesis discussed in light of our results. 相似文献
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In ray tracing the two most commonly used data structures are the octree and uniform cell division. The octree structure allows efficient adaptive subdivision of space, while taking care of the spatial coherence of the objects in it; however, the tree structure locating the next node in the path of a ray is complex and time consuming. The cell structure, on the other hand, can be stored in a three-dimensional array, and each cell can be efficiently accessed by specifying three indices. However, such a uniform cell division does not take care of object coherence. The proposed data structure combines the positive features of the above data structures while minimising their disadvantages. The entire object space is implicitly assumed to be a three-dimensional grid of cells. Initially, the entire object space is a single voxel which later undergoes “adaptive cell division.” But, unlike in the octree structure, where each voxel is divided exactly at the middle of each dimension, in adaptive cell division, each voxel is divided at the nearest cell boundary. The result is that each voxel contains an integral number of cells along each axis. Corresponding to the implicit cell division we maintain a three-dimensional array, with each array element containing the voxel number which is used to index into the voxel array. The voxel array is used to store information about the structure of each voxel, in particular, the objects in each voxel. While a ray moves from one voxel to another we always keep track of the cell through which the ray is currently passing. Since only arrays are involved in accessing the next voxel in the path of the ray, the operation is very efficient. 相似文献
5.
Mamata Mukhopadhyay Sameer V Dalvi 《Journal of chemical technology and biotechnology (Oxford, Oxfordshire : 1986)》2005,80(4):445-454
A supercritical antisolvent (SAS) process is employed for production of solid nanoparticles from atomized droplets of dilute solution in a flowing supercritical carbon dioxide (SC CO2) stream by attaining extremely high, very rapid, and uniform supersaturation. This is facilitated by a two‐way mass transfer of CO2 and solvent, to and from the droplet respectively, rendering rapid reduction in equilibrium solubility of the solid solute in the ternary solution. The present work analyses the degree of supersaturation and nucleation kinetics in a single droplet of cholesterol solution in acetone during its flight in a flowing SC CO2 stream. Both temperature and composition are assumed to be uniform within the droplet, and their variations with time are calculated by balancing the heat and mass transfer fluxes to and from the droplet. The equilibrium solubility of cholesterol with CO2 dissolution has been predicted as being directly proportional to the Partial Molar Volume Fraction (PMVF) of acetone in the binary (CO2–acetone) system. The degree of supersaturation has been simulated up to the time required to attain almost zero cholesterol solubility in the droplet for evaluating the rate of nucleation and the size of the stable critical nuclei formed. The effects of process parameters have been analysed in the pressure range of 7.1–35.0 MPa, temperature range of 313–333 K, SC CO2 flow rate of 0.1136–1.136 mol s?1, the ratio of the volumetric flow rates of CO2‐to‐solution in the range of 100–1000, and the initial mole fraction of cholesterol in acetone solution in the range of 0.0025–0.010. The results confirm an extremely high and rapid increase in degree of supersaturation, very high nucleation rates and stable critical nucleus diameter of the order of a nanometre. Copyright © 2005 Society of Chemical Industry 相似文献
6.
Bera L.K. Ray S.K. Mukhopadhyay M. Nayak D.K. Usami N. Shiraki Y. Maiti C.K. 《Electron Device Letters, IEEE》1998,19(8):273-275
Growth of ultrathin (<100 Å) oxynitride on strained-Si using microwave N2O and NH3 plasma is reported. X-ray photoelectron spectroscopy (XPS) results indicate a nitrogen-rich layer at the strained-Si/SiO2 interface. The electrical properties of oxynitrides have been characterized using a metal-insulator-semiconductor (MIS) structure. A moderately low value of insulator charge density (6.1×1010 cm-2) has been obtained for NH3 plasma treated N2O oxide sample. Nitrided oxide shows a larger breakdown voltage and an improved charge trapping properties under Fowler-Nordheim (F-N) constant current stress 相似文献
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Jagath C Rajapakse Choong Leong Tan Xuebin Zheng Susanta Mukhopadhyay Kanyan Yang 《IEEE engineering in medicine and biology magazine》2006,25(2):102-111
Covariance-based methods of exploration of functional connectivity of the brain from functional magnetic resonance imaging (fMRI) experiments, such as principal component analysis (PCA) and structural equation modeling (SEM), require a priori knowledge such as an anatomical model to infer functional connectivity. In this research, a hybrid method, combining independent component analysis (ICA) and SEM, which is capable of deriving functional connectivity in an exploratory manner without the need of a prior model is introduced. The spatial ICA (SICA) derives independent neural systems or sources involved in task-related brain activation, while an automated method based on the SEM finds the structure of the connectivity among the elements in independent neural systems. Unlike second-order approaches used in earlier studies, the task-related neural systems derived from the ICA provide brain connectivity in the complete statistical sense. The use and efficacy of this approach is illustrated on two fMRI datasets obtained from a visual task and a language reading task. 相似文献
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