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排序方式: 共有398条查询结果,搜索用时 765 毫秒
21.
Langang Niu Ramaswamy Nagarajan Dingsong Feng Lynne A. Samuelson 《高分子科学杂志,A辑:纯化学与应用化学》2013,50(12):1983-1990
Main‐chain thermotropic liquid‐crystalline polyesters containing rigid biphenyl mesogens and flexible spacers were synthesized by chemo‐enzymatic route. The enzyme‐catalyzed polymerization showed high regio‐ and chemo‐ selectivity, and is environmentally friendly. The resulting polyesters were characterized with 1H‐NMR, 13C‐NMR, gel permeation chromatography (GPC), differential scanning calorimetry (DSC), and polarized light optical microscopy (POM). 相似文献
22.
Molecular orbital calculations at the DFT-B3LYP/aug-cc-pVDZ level were performed for the possible tautomers of 1-amino-3-nitro-1,2,4-triazol-5-one-2-oxide. We have examined the substitution effects of amino and nitro groups by comparing calculated geometries, relative energies, and electrostatic potentials of model molecules. The optimized structures, vibrational frequencies, and thermodynamic values for triazol-5-one-N-oxides were obtained in their ground state. The results show 1H, 4H tautomers to be most stable. Detonation velocity and detonation pressure were evaluated by the Kamlet and Jacob equations based on the predicted density and the calculated heat of explosion. Explosive properties appear to be promising compared with those of 1,3,5-trinitro-1,3,5-triazine (D = 8.75 km/s, P = 34.7 Gpa) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (D = 8.96 km/s, P = 35.96 Gpa), 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (D = 9.20 km/s, P = 42.0 Gpa) and octanitrocubane (D = 9.90 km/s, P = 48.45 GPa). The designed triazol-5-one-N-oxides satisfy the criteria of high energy density materials. 相似文献
23.
Parakkulam Ramaswamy Aravind Lorenz Ratke Matthias Kolbe Gian Domenico Soraru 《Journal of Sol-Gel Science and Technology》2013,67(3):592-600
In present work, we have prepared gels with various compositions of methyltrimethoxysilane—3-(2,3-epoxypropoxy) propyltrimethoxysilane (MTMS-GPTMS) using a two-step acid base sol–gel process. To make a comparative study between the two common drying routes, we prepared gels under supercritical and also under ambient conditions. The density of the supercritically dried hybrid aerogels lies between 0.18 and 0.31 gcm?3, while the density of the ambient dried ones ranges between 0.35 and 0.42 gcm?3. The surface area of MTMS-0.25 GPTMS aerogel dried under supercritical conditions, has been found to be 464 m2 g?1 with a pore volume and average pore diameter of 1.24 cm3 g?1 and 11 nm respectively. The same composition dried under ambient conditions is found to have similar properties i.e. a BET surface area of 439 m2 g?1, pore volume of 1.22 cm3 g?1 and average pore diameter of 11 nm. The aerogels were later pyrolyzed yielding silica/carbon composite aerogels. The pyrolized aerogels possessed a surface area as high as 207 m2 g?1 with a total pore volume of 0.98 cm3 g?1. The pyrolysed aerogels were also calcined to yield carbon free materials. 相似文献
24.
Evolution of coercivity and its angular dependence in CoFe nanostructures subjected to field cooling
G. K. Rajan S. Ramaswamy G. Chandrasekharan D. J. Thiruvadigal 《Surface and interface analysis : SIA》2014,46(2):98-101
Evolution of coercivity and its angular dependence in CoFe nanostructures subjected to field cooling has been investigated in this work. Spherical CoFe grains with an average diameter of 30 nm were grown on a silicon substrate using electron beam evaporation. Further, the as‐deposited sample was subjected to field cooling. The morphology and topography of the sample before and after field cooling were characterized by atomic force microscopy and SEM. Magnetic force microscopy indicated that there is a good uniformity of magnetization throughout the sample after field cooling. Vibrating sample magnetometer measurements indicate that the coercivity in CoFe nanostructures is dependent on shape of the nanostructures. Copyright © 2013 John Wiley & Sons, Ltd. 相似文献
25.
Rani Angineni Venkataswamy Perala Ramaswamy Kadari Srilekha Pallati Sreenu Kurra Vithal Muga 《印度化学会志》2022,99(6):100495
One of the well-known ways of increasing the visible light absorption capability of semiconducting materials is cation doping. This study aims to use Gd doping to tailor the bandgap energy of K2Ta2O6 (KTO) for photocatalytic degradation of organic pollutants under visible light irradiation. Accordingly, the parent KTO and Gd-doped KTO with different Gd concentrations (K2-3xGdxTa2O6; x = 0.025, 0.05, 0.075 and 0.1 mol%) were synthesized by hydrothermal and facile ion-exchange methods, respectively. The powder XRD, FT-IR, SEM-EDS, TEM-SAED, N2 adsorption-desorption, XPS, UV–Vis DRS, PL and ESR techniques were used to investigate the effect of Gd dopant concentration on the structural and photocatalytic properties of KTO. The photocatalytic activity of these samples was investigated for the photocatalytic degradation of methylene blue (MB) dye in an aqueous solution at room temperature under visible light irradiation. The experimental results show that all Gd-doped KTO samples exhibit enhanced photocatalytic activity compared with parent KTO toward MB degradation. In particular, Gd-KTO obtained by doping of 0.075 mol% shows the highest photocatalytic activity among the Gd-doped samples and the degradation efficiency of MB was 79% after 180 min of visible light irradiation, which is approximately 1.5 times as high as that by parent KTO (53%). In addition, trapping experiments and electron spin resonance (ESR) analysis demonstrated that the hydroxyl radicals (?OH) have played a crucial role in the photocatalytic degradation of MB. The reusability and stability of Gd doped-KTO with a Gd content of 0.075 mol% against MB degradation were examined for five cycles. Based on the present study results, a visible light induced photocatalytic mechanism has been proposed for Gd0075-KTO sample. 相似文献
26.
Ramaswamy Murugavel Natesan Thirupathi Setharampattu S. Krishnamurthy Munirathinam Nethaji 《Heteroatom Chemistry》1995,6(1):63-70
Oxidation of the cis isomer of the λ3-cyclotriphosphazane [EtNP(OCH2CF3)]3 with trimethylamine-N-oxide (TMNO) gives the cis isomer of trioxo-λ5-cyclotriphosphazane [EtNP(O)(OCH2CF3)]3; the trans isomer of [EtNP(O)(OCH2CF3)]3 is obtained by the treatment of a cis and trans mixture of [EtNP(OCH2CF3)]3 with aqueous H2O2. The two trioxocyclotriphosphazanes have been characterized by elemental analysis, IR, and NMR (1H, 13C, 19F, and 31P) spectroscopy. The solid state structures of both the isomers have been determined by single crystal X-ray diffraction. The six-membered P3N3 ring in both the isomers exhibits a twist-boat conformation; in the cis isomer, the trifluoroethoxy substituents lie on the same side of the ring, whereas, in the trans isomer, two trifluoroethoxy groups are on one side of the ring and the third on the other side of the ring. Crystal data for cis-[EtNP(O)(OCH2CF3)]3: monoclinic, P 21/ n , a = 13.593(3), b = 9.721(2), c = 17.539(3) Å, β = 99.49(2)°, V = 2286(1) Å3, Z = 4, and Final R = 0.047. Crystal data for trans-[EtNP(O)(OCH2CF3)]3: monoclinic, P 21/ n , a = 11.685(4), b = 15.115(5), c = 13.233(5) Å, - = 102.21(3)°, V = 2284(1) Å3, Z = 4, and Final R = 0.078. 相似文献
27.
An improved Hardy-Sobolev inequality and its application 总被引:4,自引:0,他引:4
Adimurthi Nirmalendu Chaudhuri Mythily Ramaswamy 《Proceedings of the American Mathematical Society》2002,130(2):489-505
For , a bounded domain, and for , we improve the Hardy-Sobolev inequality by adding a term with a singular weight of the type . We show that this weight function is optimal in the sense that the inequality fails for any other weight function more singular than this one. Moreover, we show that a series of finite terms can be added to improve the Hardy-Sobolev inequality, which answers a question of Brezis-Vazquez. Finally, we use this result to analyze the behaviour of the first eigenvalue of the operator as increases to for .
28.
Nilakantan R Immermann F Haraki K 《Combinatorial chemistry & high throughput screening》2002,5(2):105-110
We address the problem of designing a general-purpose combinatorial library to screen for pharmaceutical leads. Conventional approaches focus on diversity as the primary factor in designing such libraries. We suggest making screening libraries out of a set of pharmaceutically relevant scaffolds, with multiple analogs per scaffold. The rationale for this rests on the fact that even though the hit-rate in active series is much higher than in the database as a whole, often a large fraction of the compounds in active series are inactive. This is especially true when the series has not been optimized for the target under study. We introduce the concept of hit-rate within a series and use historic screening data to arrive at a crude estimate for it. We then use simple probability arguments to show that 50-100 compounds are required in each series in order to be nearly certain of finding at least one active compound in each true active series for any given target. 相似文献
29.
R. Ramaswamy 《The European Physical Journal B - Condensed Matter and Complex Systems》2002,29(2):339-343
Integrable dynamical systems, namely those having as many independent conserved quantities as freedoms, have all Lyapunov
exponents equal to zero. Locally, the instantaneous or finite time Lyapunov exponents are nonzero, but owing to a symmetry,
their global averages vanish. When the system becomes nonintegrable, this symmetry is broken. A parallel to this phenomenon
occurs in mappings which derive from quasiperiodic Schr?dinger problems in 1-dimension. For values of the energy such that
the eigenstate is extended, the Lyapunov exponent is zero, while if the eigenstate is localized, the Lyapunov exponent becomes
negative. This occurs by a breaking of the quasiperiodic symmetry of local Lyapunov exponents, and corresponds to a breaking
of a symmetry of the wavefunction in extended and critical states.
Received 25 October 2001 / Received in final form 8 December 2001 Published online 2 October 2002
RID="a"
ID="a"e-mail: r.ramaswamy@mail.jnu.ac.in 相似文献
30.
This paper describes the application of the Taylor-Galerkin based finite element method to the calculation of incompressible viscous flows. The fundamental concepts and characteristics of the formulations and the associated solution methodology used are described in technical detail. This scheme is second-order accurate for velocity and pressure in time as well as in space. The three test cases chosen for the performance evaluation of this formulation are the standing vortex problem, the lid-driven cavity flow at Reynolds numbers up to 5000, and the sudden expansion problem at Reynolds numbers up to 800. These results are provided to illustrate the quality of the computed transient solutions in two dimensions under laminar conditions. 相似文献