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排序方式: 共有3702条查询结果,搜索用时 15 毫秒
1.
To improve the electrochemical properties of rare-earth–Mg–Ni-based hydrogen storage alloys, the effects of stoichiometry and Cu-substitution on the phase structure and thermodynamic properties of the ... 相似文献
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Gibbs energies of formation of CoF2 and MnF2 have been measured in the temperature range from 700 to 1100 K using Al2O3-dispersed CaF2 solid electrolyte and Ni+NiF2 as the reference electrode. The dispersed solid electrolyte has higher conductivity than pure CaF2 thus permitting accurate measurements at lower temperatures. However, to prevent reaction between Al2O3 in the solid electrolyte and NiF2 (or CoF2) at the electrode, the dispersed solid electrolyte was coated with pure CaF2, thus creating a composite structure. The free energies of formation of CoF2 and MnF2 are (± 1700) J mol−1; {fx37-1} The third law analysis gives the enthalpy of formation of solid CoF2 as ΔH° (298·15 K) = −672·69 (± 0·1) kJ mol−1, which compares with a value of −671·5 (± 4) kJ mol−1 given in Janaf tables. For solid MnF2, ΔH°(298·15 K) = − 854·97 (± 0·13) kJ mol−1, which is significantly different from a value of −803·3 kJ mol−1 given in the compilation by Barinet al. 相似文献
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The calculations of the first paper suggesting phase separation in the Hubbard model [2] are performed under modern computer facilties for the one and three-band Hubbard model. High-temperature approximations for specific heat and static correlation functions are obtained. The latter show, at these high temperatures, no tendency to phase separate in the same way as in the cited paper because our spin parallel nearest-neighbor charge correlation function is negative for all doping values. The spin antiparallel correlation function has positive and negative values for different doping regimes.Extension of this work to higher levels of iterations and to other correlation functions is in progress. 相似文献
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The experimental 156PVTx properties of an important binary refrigerant mixture, HFC-32 (difluoromethane)+HFC-125 (pentafluorethane), have been measured for three compositions, i.e., 50, 60, and 80 wt% HFC-32, by a constant-mass-method coupled with expansion procedure in an extensive range of temperaturesT from 320 to 440 K, of pressuresP from 1.8 to 5.3 M Pa, and of densities p from 50 to 124 kg · m–3. The experimental uncertainties of the present measurements are estimated to be within ±7 mK in temperature, ±2 kPa in pressure, ±0.2% in density and ±0.02 wt% of HFC-32. The sample purities are 99.998 wt% for HFC-32 and 99.99 wt% for HFC-125. Seventy-eight second and third virial coeflicients for temperatures from 320 to 440 K have been determined by the present measurements.Paper presented at the Twelfth Symposium on Thermophysical Properties, June 19–24, 1994, Boulder, Colorado, U.S.A. 相似文献
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吸附制冷循环的热力计算及热力学评价方法探讨 总被引:4,自引:0,他引:4
在化工吸附,吸附热力学及Polanyi吸附位势理论的基础上,介绍吸附制冷基本型循环,推演其参数坐标图,进而分析,给出其主要性能指标的热力计算,然后以热力学的逆卡诺循环和内可逆三热源循环模型为指针,对此制冷循环进行考察。并结合热力计算对其热力学完善性做出评价,从而给出了吸附制冷基本型循环合适的热力学评价方法。 相似文献
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Jan‐Chan Huang 《应用聚合物科学杂志》2003,90(3):671-680
A modified method is discussed that is based on Farooque and Deshpande's method to obtain polymer–polymer interaction parameters using inverse gas chromatography (IGC) data. In the Farooque and Deshpande method, the ratio of the difference of probe–polymer interaction parameters between two polymers and the probe volume [(χ12 ? χ13)/V1] is used as the abscissa. In the modified method, the ratio [(?2χ12 + ?3χ13)/V1] is used as the abscissa. Experimental data previously reported for a poly(?‐caprolactone)‐polyepichlorohydrin (PCL/PECH) blend and a poly(ethyl acrylate)‐poly(vinyl propionate) (PEA/PVPr) blend are analyzed. It is found that the slopes obtained by the new method had smaller deviations from the theoretical values than the Farooque and Deshpande method. The standard deviations of both slopes and intercepts obtained from the new method are also smaller. Using the new method, the polymer–polymer interaction parameters obtained from the intercept are negative numbers for the PCL/PECH system and very small positive numbers for PEA/PVPr. Explanations are given for the probe and concentration dependency of the polymer–polymer interaction parameters that are generally observed in IGC studies. A new method for selecting the best probe for calculating the interaction parameter is discussed. © 2003 Wiley Periodicals, Inc. J Appl Polym Sci 90: 671–680, 2003 相似文献
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Pomes R.; Willson R.C.; McCammon J.A. 《Protein engineering, design & selection : PEDS》1995,8(7):663-675
Free energy simulations are reported for the N31L-D mutation,both in the HyHEL-10-HEL antibody-lysozyme complex and in theunliganded antibody, using the thermo-dynamic-cycle perturbationmethod. The present study suggests that the mutation would changethe free energy of binding of the complex by 5.6 kcal/mol(unrestrained free energy simulations), by 0.5 kcal/mol(free energy simulations with a restrained backbone) and by1.8 kcal/ mol (Poisson-Boltzmann calculations, which also usea restrained geometry model). A detailed structural analysishelps in estimating the contributions from various residuesand regions of the system. Enhanced recognition of HEL by themutant HyHEL-10 would arise from the combination of thermodynamicallymore favorable conformational changes of the CDR loops uponassociation and subsequent charge pairing with Lys96 in theantigen. 相似文献