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1.
Applications of Mathematics - We focus on the free boundary problems for a Leslie-Gower predator-prey model with radial symmetry in a higher dimensional environment that is initially well populated... 相似文献
2.
自新冠肺炎(COVID-19)疫情爆发以来,国内外多家研究机构和企业都在加快推进新冠病毒(SARS-CoV-2)抗体药物的研发。药物多晶型限制了有效药物的研发进度。药物生产、存储和使用环境影响了药物的稳定性。红外光谱作为一种快速无损检测手段,可从振动光谱反映出药物结构、晶型甚至生产工艺上的差异大大提高了研发效率。首次以三种临床试验被认为治疗新冠肺炎有效药物:磷酸氯喹,利巴韦林和盐酸阿比多尔为例,利用傅里叶红外光谱仪测试得到它们在远红外(1~10 THz)和中红外(400~4 000 cm-1)波段的振动光谱。远红外光谱中,利巴韦林的特征峰位于:2.01,2.68,3.37,4.05,4.83,5.45,5.92,6.42和7.14 THz附近;磷酸氯喹的特征峰位于:1.26,1.87,2.37,3.06,3.78,5.09和6.06 THz附近;盐酸阿比多尔的特征峰位于:2.24,3.14,3.72,4.25和5.38 THz附近。结合密度函理论,选择B3LYP杂化泛函和6-311++G(d,p)基组,利用Crystal14和Gaussian16软件分析了光谱中所有特征峰对应的振动模式,实现了对振动光谱的精确指认。远红外波段,振动模式源自分子的集体振动。中红外波段,2 800 cm-1以下,振动模式主要源自基团的面内外弯曲和摇摆;2 800 cm-1以上,振动模式过渡为C—H,O—H和N—H键的面内伸缩。以考虑了周期性边界条件的晶体结构作为理论计算的初始构型,会让理论光谱与实验光谱更加吻合,尤其是在远红外波段和中红外400~1 000 cm-1的低频段。该研究对深入理解磷酸氯喹,利巴韦林和盐酸阿比多尔等抗病毒药物的药学特性,药物间相互作用,控制药物生产过程,指导药物存储和使用有重大意义。 相似文献
3.
Yan Fang Yangzom Dawa Qilan Wang Yue Lv Wei Yu Gang Li Jun Dang 《Journal of separation science》2022,45(14):2435-2445
Saxifraga atrata is an important traditional Tibetan medicine used to treat cough and pneumonia, and has tremendous medicinal potential. In this study, we devised a technique to separate 1,1-diphenyl-2-picrylhydrazyl inhibitors from a methanol extract of S. atrata. The material was first processed using MCI GEL CHP20P medium-pressure liquid chromatography, yielding 1.1 g of the target fraction Fr2. Subsequently, online hydrophilic interaction liquid chromatography-1,1-diphenyl-2-picrylhydrazyl assay was used to identify prospective 1,1-diphenyl-2-picrylhydrazyl inhibitors, and two 1,1-diphenyl-2-picrylhydrazyl inhibitor fractions (Fr24 and Fr25) were identified from Fr2. Then, medium-pressure preparation was continued using an XIon column to separate two 1,1-diphenyl-2-picrylhydrazyl inhibitor fractions (Fr24 and Fr25). The target compound was concentrated in fractions Fr24 and Fr25 using reverse-phase liquid chromatography during further separation procedures. Finally, the purity, structure, and 1,1-diphenyl-2-picrylhydrazyl inhibitory activity of the isolated 1,1-diphenyl-2-picrylhydrazyl inhibitors were determined. Two 1,1-diphenyl-2-picrylhydrazyl inhibitors (adenosine with the half maximal inhibitory concentration of 66.87 ± 14.33 μM and (-)-4-O-(E)-caffeoyl-l -threonic acid with the half maximal inhibitory concentration of 59.06 ± 5.02 μM) were isolated with purities exceeding 95%. The results showed that this technology is effective in the targeted separation of antioxidants from natural products. 相似文献
4.
Experimental Mechanics - The direct current potential drop (DCPD) method is an important method for monitoring crack initiation and propagation in specimens. During fatigue crack growth monitoring,... 相似文献
5.
Acta Mathematica Sinica, English Series - We are interested in the existence and asymptotic behavior for the least energy solutions of the following fractional eigenvalue problem $$\left({\rm{P}}... 相似文献
6.
Science China Chemistry - 相似文献
7.
文章逐个分析计算了单摆的摆角、摆球的自转、摆线质量、空气浮力以及空气阻力对于单摆周期的影响,以1 m长5°小幅单摆为例,得到这5种因素带来的系统相对误差分别为+0.45‰、+0.02‰、-0.45‰、+0.07‰、-0.14‰,合计仅为-0.05‰,即这5种误差因素几乎相互抵消,小幅单摆实验在理论上的系统误差极小.文章给出了较为详细的推理、计算和分析过程,尤其空气阻力矩的推理过程以及图、表等,意在提供较为完整和准确的认识.文末,针对人们在空气阻力认识上可能存在的某些不足,文章给出了几点必要的说明. 相似文献
8.
Bulk assemblies of zero-dimensional (0D) metal halides with ‘host-guest’ system provide a promising platform for rationally structural tunability and photoluminescence modulation. In this work, we first report a series of ternary 0D metal halides, (bmpy)9[Pb3Cl11](MnCl4)2-2x(SbCl5)2x (bmpy+ = 1-buty-1-methylpyrrolidinium+, C9NH20+), where the organic cation bmpy+ cocrystallizes with [Pb3Cl11]5- trimer clusters, [MnCl4]2? tetrahedra, and [SbCl5]2? pyramids. The emission color of (bmpy)9[Pb3Cl11](MnCl4)2-2x(SbCl5)2x can be easily tuned from green to warm white and finally to orange-red by controlling the excitation wavelength or the [SbCl5]2?/[MnCl4]2? molar ratio, promising its potential for application in multicolor light-emitting devices or even in encrypting multilevel optical codes. This work presents a novel structural modulation strategy to fabricate superior ordered single-crystalline multicomponent materials with multifunctionalities of 0D luminescent metal halides. 相似文献
9.
Tong Liu Bao-Qing Guo Yan-Hui Zhou Jun-Long Zhao Yu-Liang Fang Qi-Cheng Wu Chui-Ping Yang 《Frontiers of Physics》2022,17(6):61502
Transferring entangled states between matter qubits and microwave-field (or optical-field) qubits is of fundamental interest in quantum mechanics and necessary in hybrid quantum information processing and quantum communication. We here propose a way for transferring entangled states between superconducting qubits (matter qubits) and microwave-field qubits. This proposal is realized by a system consisting of multiple superconducting qutrits and microwave cavities. Here, „qutrit” refers to a three-level quantum system with the two lowest levels encoding a qubit while the third level acting as an auxiliary state. In contrast, the microwave-field qubits are encoded with coherent states of microwave cavities. Because the third energy level of each qutrit is not populated during the operation, decoherence from the higher energy levels is greatly suppressed. The entangled states can be deterministically transferred because measurement on the states is not needed. The operation time is independent of the number of superconducting qubits or microwave-field qubits. In addition, the architecture of the circuit system is quite simple because only a coupler qutrit and an auxiliary cavity are required. As an example, our numerical simulations show that high-fidelity transfer of entangled states from two superconducting qubits to two microwave-field qubits is feasible with present circuit QED technology. This proposal is quite general and can be extended to transfer entangled states between other matter qubits (e.g., atoms, quantum dots, and NV centers) and microwave- or optical-field qubits encoded with coherent states. 相似文献
10.
Structural stability in terms of the decomposition temperature in LiMn2O4 was systematically investigated by a series of high-temperature and high-pressure experiments.LiMn2O4 was found to have structural stability up to 5 GPa at room temperature.Under ambient pressure,the compound decomposed at 1300℃.The decomposition temperature decreased with increasing pressure,yielding more complex decomposed products.Below the decomposition temperature,the crystal structure of LiMn2O4 varied with pressure.The presented results in this study offer new insights into the thermal and pressure stability of LiMn2O4 materials as a cathode for lithium-ion batteries that can operate under extreme conditions.Therefore,these findings may serve as a useful guide for future work for improving lithium-ion batteries. 相似文献