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121.
Jeremy C. Palmer Rakesh S. Singh Renjie Chen Fausto Martelli 《Molecular physics》2016,114(18):2580-2585
ABSTRACTRecent computational studies have reported evidence of a metastable liquid–liquid phase transition (LLPT) in molecular models of water under deeply supercooled conditions. A competing hypothesis suggests, however, that non-equilibrium artefacts associated with coarsening of the stable crystal phase have been mistaken for an LLPT in these models. Such artefacts are posited to arise due to a separation of time scales in which density fluctuations in the supercooled liquid relax orders of magnitude faster than those associated with bond-orientational order. Here, we use molecular simulation to investigate the relaxation of density and bond-orientational fluctuations in three molecular models of water (ST2, TIP5P and TIP4P/2005) in the vicinity of their reported LLPT. For each model, we find that density is the slowly relaxing variable under such conditions. We also observe similar behaviour in the coarse-grained mW model of water. Our findings, therefore, challenge the key physical assumption underlying the competing hypothesis. 相似文献
122.
123.
特低渗透油藏面积井网见水时间计算 总被引:1,自引:0,他引:1
特低渗透油藏在水驱开发过程中常表现出渗透率各向异性和流体非达西渗流特征,运用非达西渗流公式及流线积分法,得到特低渗透油藏五点井网、反九点井网和菱形反九点井网在油水两相非活塞式驱替条件下的油井见水时间.计算长庆鄂尔多斯盆地某特低渗透油藏井网见水时间,结果与实际动态符合较好.分析油水黏度比、渗透率各向异性及启动压力梯度对油井见水时间的影响,结果表明:油水黏度比越大,油井的见水时间越早;当菱形反九点井网长轴方向井距与短轴方向井距之比与渗透率各向异性强度大致相等时,长轴方向与短轴方向上的角井能实现均衡驱替;启动压力梯度延缓了油井的见水时间,且生产井距越大,启动压力梯度的影响越显著. 相似文献
124.
高压电脉冲压裂技术是基于液电效应,通过水中脉冲放电产生强大的冲击波使岩石产生裂缝,近年来成为了岩石压裂领域的热点研究对象。搭建了两路电流源模块应用于水中放电,采用铜材料的针针电极,电极间距1 mm;研究了在不同放电电压下,单路和两路电流源模块电极间的电压、电流波形。实验结果表明,空载时在同一放电电压下,双路模块产生更大的放电电流,从而在放电时获得更高的瞬时功率;而在水中针针放电时,单路和双路模块水间隙的预击穿时间与放电电压之间具有很大的随机性。单路模块预击穿时间的标准差最小为0.285 ms,最大为1.481 ms;而双路模块最小为0.369 ms,最大为0.703 ms。并且随着放电电压的增加,预击穿时间减小,双路模块的预击穿平均时间从放电电压为1300 V时的2.686 ms降到1800 V时的1.036 ms。 相似文献
125.
Brynne E. Lazarus Matthew J. Germino Jessica L. Vander Veen 《Isotopes in environmental and health studies》2016,52(3):309-325
Application of stable isotopes of water to studies of plant–soil interactions often requires a substantial preparatory step of extracting water from samples without fractionating isotopes. Online heating is an emerging approach for this need, but is relatively untested and major questions of how to best deliver standards and assess interference by organics have not been evaluated. We examined these issues in our application of measuring woody stem xylem of sagebrush using a Picarro laser spectrometer with online induction heating. We determined (1) effects of cryogenic compared to induction-heating extraction, (2) effects of delivery of standards on filter media compared to on woody stem sections, and (3) spectral interference from organic compounds for these approaches (and developed a technique to do so). Our results suggest that matching sample and standard media improves accuracy, but that isotopic values differ with the extraction method in ways that are not due to spectral interference from organics. 相似文献
126.
通过简单调整g-C_3N_4的热聚合方式,一步构筑了超薄氮化碳纳米片,厚度在0.2~0.4 nm左右,分布均匀,比表面积可以达到99 m~2·g~(-1)。光催化性能测试结果表明,随着纳米片比表面积的增大,材料除了表现出优异的光解水性能以外,还在微生物领域表现出一定的抗菌性能,且活性随着聚合温度的升高、纳米片层的变薄而逐渐提高。 相似文献
127.
《中国化学》2017,35(7):1086-1090
1D compound [Zn(Im)(HIm )2(OAc )] was used as a single precursor of metal and imidazole to prepare several 3‐dimensional (3D ) Zn(Im)2 frameworks by solution‐mediated transformation. Specifically, three known topologies, zni, coi and crb (BCT ) were obtained using a solution‐mediated transformation with CH3OH , DMF and DMA as solvent, respectively. Structural studies by 13C MAS NMR spectroscopy and TG imply that in the transformation process from 1D compound to coi‐[Zn(Im)2]•(DMF )x and crb‐[Zn(Im)2]•(DMA )x (ZIF ‐1), DMF and DMA solvent molecules acted as structure‐directing agent and, therefore, were occluded inside the framework, respectively. In contrast, in the formation of zni‐[Zn(Im)2], no solvent molecules were present in the frameworks; therefore the transformation from 1D compound to zni was induced by temperature. Thus, solution‐mediated transformation of a single precursor (1D compound) approach was established for the synthesis of ZIFs . 相似文献
128.
《中国化学》2017,35(7):1091-1097
In this work, a new porous Zr‐based metal‐organic framework (MOF ) with a large Brunner‐Emmet‐Teller (BET ) surface area was prepared by the solvothermal method using 4,4’‐(naphthalene‐1,4‐diyl)dibenzoic acid (NDDA ) as the organic ligand, and the luminescent detection performance was studied systematically. The experiments combing with computations indicate that the as‐synthesized material can sensitively and selectively detect nitro explosives and metal ions, especially for 2,4,6‐trinitrophenol (TNP ) and Fe3+, due to the possible electron transfer from inorganic moieties to organic moieties with naphthalene part. Interestingly, owing to its high porosity and large surface area, this Zr‐MOF showed quick luminescent response time (in 1 min) for TNP and Fe3+. The results obtained may provide useful information for the design of MOFs with the large permanent porosity in sensing applications for large molecules in the future. 相似文献
129.
130.
建立生活饮用水中F~–,Cl~–,PO_3^(3–),PO_4^(3–),SO_3^(2–),SO_4^(2–)6种阴离子的离子色谱检测法。采用戴安DX–120型离子色谱仪及Ion Pac AS9–HC(250 mm×4.0 mm)阴离子交换柱,以5.0 mmo L/L Na_2CO_3–0.6 mmo L/L NaHCO_3溶液为淋洗液,流量为1.2 mL/min。6种阴离子的质量浓度与其色谱峰面积呈良好的线性关系,相关系数为0.999 3~0.999 8,检出限为0.026 4~0.741 4μg/mL(S/N=3)。水样的加标回收率为91.3%~110.0%,测定结果的相对标准偏差为1.65%~3.07%(n=6)。该方法具有操作简单,选择性、准确性好等优点,能够满足饮用水中F~–,Cl~–,PO_3^(3–),PO_4^(3–),SO_3^(2–),SO_4^(2–)6种阴离子的测定要求。 相似文献