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Dongfei Li Da Zhan Jiaxu Yan Chenglin Sun Zuowei Li Zhenhua Ni Lei Liu Zexiang Shen 《Journal of Raman spectroscopy : JRS》2013,44(1):86-91
We investigate two high frequency Raman overtone and combination modes of graphene named 2D' and 2D + G bands, and located at ~3240 and ~ 4260 cm–1, respectively. The graphene thickness and stacking geometry effects for these two modes are systematically studied. The features of the 2D' band, which arises from intravalley double resonance, are not sensitive to the variation of thickness with single Lorentzian peak and fixed linewidth. We explain it theoretically by calculating the phonon dispersion mode in k‐space and find that the flat band region of longitudinal optical phonon near Γ point is the mechanism leading to the 2D' band nonsplit. With the thickness increasing, the band position exhibits blueshift and the linewidth increases for the 2D + G band. With changing thickness and stacking geometry of graphene, the intensities of these two high‐frequency bands show obvious different evolution compared with that of G band. Copyright © 2012 John Wiley & Sons, Ltd. 相似文献
994.
Yang Liu Hsiangkuo Yuan Andrew M. Fales Tuan Vo‐Dinh 《Journal of Raman spectroscopy : JRS》2013,44(7):980-986
Local pH environment has been considered to be a potential biomarker for tumor diagnosis because solid tumors contain highly acidic environments. A pH‐sensing nanoprobe based on surface‐enhanced Raman scattering (SERS) using nanostars under near‐infrared excitation has been developed for potential biomedical applications. To theoretically investigate the effect of protonation state on SERS spectra of p‐mercaptobenzoic acid (pMBA), we used the density functional theory (DFT) with the B3LYP functional to calculate Raman vibrational spectra of pMBA‐Au/Ag complex in both protonated and deprotonated states. Vibrational spectral bands were assigned with DFT calculation and used to investigate SERS spectral changes observed from experiment when varying pH value between five and nine. The SERS peak position of pMBA at ~1580 cm−1 was identified to be a novel pH‐sensing index, which has small but noticeable downshift with pH increase. This phenomenon is confirmed and well‐explained with theoretical simulation. The study demonstrates that SERS is a sensitive tool to monitor minor structural changes due to local pH environment, and DFT calculations can be used to investigate Raman spectra changes associated with minor differences in molecular structure. Copyright © 2013 John Wiley & Sons, Ltd. 相似文献
995.
Zhihang Peng Qiang Chen Dan Liu Yadan Wang Dinquan Xiao Jianguo Zhu 《Current Applied Physics》2013,13(7):1183-1187
Aurivillius type (NaBi)0.5?x(LiCe)xBi2Nb2O9 ceramics were prepared by the standard ceramics route. The single crystal structural ceramics were achieved for all compositions and lattice distortion was decreased by (LiCe) dopants. The temperature dependent dielectric properties revealed that all compositions possess a high Curie-temperature (>780 °C). A modified Curie–Weiss relationship is used to study the diffuseness behavior of a ferroelectric phase transition indicating the degree of diffuseness of NBN-based ceramics increased with (LiCe) modifications. The degradation of resistance implied a plausible model that Ce4+ ions entered into the B-site of the pseudo-perovskite structure and acted as acceptor doping. Further investigation demonstrated that both electrical conduction and dielectric relaxation processes were associated with the oxygen vacancies produced by the substitution of Nb5+ ions by the Ce4+ ions. 相似文献
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采用ANSYS进行形变-应力模拟。对不同应力状态下的熔石英表面进行三倍频激光损伤测试,结果发现,预加压应力为0~50 MPa时损伤阈值有明显提高的趋势,用应力耦合作用对此给出了解释:0~50 MPa的预加压应力可以降低和抵消激光辐照产生的张应力破坏,大于50 MPa预应力的耦合作用会使得该处机械性能下降,另外,损伤增长在预应力存在时更容易发生。因此,0~50 MPa预加压应力时的表面预应力可以提高熔石英的抗激光辐照能力。 相似文献
998.
建立了激光诱导偏振光谱(LIPS)和激光诱导荧光(LIF)联合的燃烧流场诊断系统,测量了CH4/AIR预混火焰中心不同高度处的OH荧光光谱和激光诱导偏振光谱,计算了OH的浓度及燃烧场温度分布。分析了燃烧炉表面对荧光收集效率的影响,并对两种技术的测量数据进行了分析比对,获得了火焰中心OH密度的分布规律。实验结果表明,联合LIPS和LIF两种技术测量CH4/AIR预混火焰参数是可行的,两种技术测量结果的一致性较好,OH浓度的相对偏差小于5%,温度的相对偏差小于8%。 相似文献
999.
用计算机对物理问题进行数值求解,一般采用C语言编程的方法实现[1].这种方法在使用时,存在两个问题:其一是编程工作量大,费时费力;其二是程序的普适性较差,当物理问题的初始条件改变时,需对原程序进行修改.Matlab语言为解决这一问题提供了新的方法.Matlab语言友好的人机界面,简便灵活的操作平台,实用而又齐全的功能,为我们提供了一个良好的工具. 相似文献
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