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141.
Molecular bulks are favorable for the thermal and morphological stability in organic wide-bandgap semiconducting polymers with potential applications in both information and energy electronics. In this review, we present our progress in the design of fluorene-based bulky semiconductors with a fractal four-element pattern. Firstly, we established one-pot methods to spirofluorenes, especially spiro[fluorene-9,9′-xanthene](SFX) serving as the next-generation spiro-based semiconductors. Secondly, we observed the supramolecular forces at the bulky groups and discovered the supramolecular steric hindrance(SSH) effect on polymorphisms, nanocrystals as well as device performance. Thus, a synergistically molecular attractor-repulsor theory(SMART) was proposed for the control of nanocrystal morphology, thin film phase and morphology. Thirdly, the third possible type of defects has been identified to generate green band(g-band) emission in widebandgap semiconductors by the introduction of molecular strain design of cyclofluorene. Finally, the first bulky polydiarylfluorene with highly crystalline and β conformation was achieved by an attractor-repulsor design of tadpole-shape monomer, which offered an effective platform to fabricate stable wide-bandgap semiconducting devices. All the discoveries offer the solid basis to break through bottlenecks of organic/polymer wide-bandgap semiconductors by the improvements of overall performances. 相似文献
142.
143.
Xiao-bin Liao Yu-fang Guo Jian-hua He Wei-jian Ou Dai-qi Ye 《Plasma Chemistry and Plasma Processing》2010,30(6):841-853
A method based on high performance liquid chromatography (HPLC), has been developed to measure hydroxyl radical (·OH) in plasma reactors. The determination was performed indirectly by detecting the products of the reaction of ·OH with salicylic acid (SAL). The applicability, and effect of time, specific input energy (SIE), relative humidity (RH),
catalyst were investigated. It was found that 3 h was the optimal trapping time; concentration of ·OH was (5.9–23.6) × 1013 radicals/cm3 at SIE range. The highest ·OH yield and toluene removal efficiency (η) were achieved with a RH of 20%. With MnO
x
, η was two times that without catalyst, while ·OH yield in gas stream was one-sixth that without catalyst. However, if summed with ·OH adsorbed on catalyst surface, the total ·OH yield was the same as without catalyst. Experiments performed with/without toluene allowed to determine the role of ·OH on decomposition of toluene in air plasma. 相似文献
144.
145.
Sun Z Wang H Xie Y King RB Schaefer HF 《Dalton transactions (Cambridge, England : 2003)》2010,39(44):10702-10711
Azulene is reported to react with Mn(2)(CO)(10) to give trans-C(10)H(8)Mn(2)(CO)(6), which has been shown by X-ray crystallography to have a bis(pentahapto) structure with no metal-metal bond. This structure is found by density functional theory to be the lowest energy C(10)H(8)Mn(2)(CO)(6) structure. However, a corresponding bis(pentahapto) cis-C(10)H(8)Mn(2)(CO)(6) structure, also without an Mn···Mn bond, lies within ~1 kcal mol(-1) of this global minimum. The lowest energy C(10)H(8)Mn(2)(CO)(5) structure is singlet cis-η(5),η(5)-C(10)H(8)Mn(2)(CO)(5) with an Mn→Mn dative bond from the Mn(CO)(3) group to the Mn(CO)(2) group. However, a singlet cis-η(6),η(4)-C(10)H(8)Mn(2)(CO)(5) structure with a normal Mn-Mn single bond lies within ~6 kcal mol(-1) of this global minimum. The lowest energy structures of the more highly unsaturated C(10)H(8)Mn(2)(CO)(n) (n = 4, 3, 2) systems all have cis geometries and manganese-manganese bonds of various orders. The corresponding global minima are triplet cis-η(5),η(3)-C(10)H(8)Mn(2)(CO)(3)(η(2)-μ-CO) for the tetracarbonyl with a four-electron donor bridging carbonyl group, singlet cis-η(5),η(5)-C(10)H(8)Mn(2)(CO)(3) for the tricarbonyl, and triplet cis-η(6),η(4)-C(10)H(8)Mn(2)(CO)(η(2)-μ-CO) for the dicarbonyl. 相似文献
146.
The geometries and electronic properties of six polymers based on furo[3,4-b]pyridine-type heterocyclics were studied using
density functional theory (DFT) at the B3LYP/6-31G(d) level. Bond lengths, bond critical point (BCP) properties, nucleus-independent
chemical shift (NICS), and Wiberg bond indexes (WBIs) are analyzed and correlated with conduction properties. The changes
of bond length, BCP properties, NICS, and WBIs all show that the conjugational degree is increased with main chain extension.
The changes of NICS also show that the conjugation is stronger in the central section than in the outer section. And the HOMO–LUMO
energy gap (E
g) is decreased steadily upon chain elongation. The results suggest that the six polymers all have lower energy gaps (in the
range of 0.39–0.58 eV), which indicate that these proposed polymers are good candidates for the conductive materials. 相似文献
147.
Prediction of membrane spanning segments in β‐barrel outer membrane proteins (OMP) and their topology is an important problem in structural and functional genomics. In this work, we propose a method based on radial basis networks for predicting the number of β‐strands in OMPs and identifying their membrane spanning segments. Our method showed a leave‐one‐out cross validation accuracy of 96% in a set of 28 OMPs, which have the range of 8–22 β‐strand segments. The β‐strand segments in OMPs and the residues in membrane spanning segments are correctly predicted with the accuracy of 96% and 87%, respectively. We have developed a web server, TMBETAPRED‐RBF for predicting the transmembrane β‐strands from amino acid sequence and it is available at http://rbf.bioinfo.tw/~sachen/tmrbf.html . We suggest that our method could be an effective tool for predicting the membrane spanning regions and topology of β‐barrel membrane proteins. © 2009 Wiley Periodicals, Inc. J Comput Chem 2010 相似文献
148.
水热沉淀法制备掺铁二氧化钛中空球及其光催化性能 总被引:1,自引:0,他引:1
以碳球为模板剂, 采用水热沉淀法制备了不同配比掺 Fe 的 TiO2 (Fe-TiO2) 中空球, 并运用 X 射线粉末衍射、扫描电子显微镜、元素分析能谱、红外光谱和热重等方法对其进行了表征. 结果表明, 中空球为锐钛矿相, 大小为 0.5~3.20 ?m, 壳层厚度为 30~60 nm, 比表面积为 150~300 m2/g. 随着 Fe 掺杂量的增加, 中空球在可见光区的吸收强度逐渐增加. 光催化降解实验表明, 掺 Fe 后, TiO2 中空球的可见光催化活性升高, 其中 0.5% Fe-TiO2 在 80 min 内降解亚甲基蓝超过 75%. 同时还讨论了光催化机制. 相似文献
149.
介绍了阿贝-波特空间滤波的实验原理,在Matlab环境下建立了带有图形用户界面(GUI)的计算机仿真平台.不仅可以准确地完成针对不同输入图像、不同滤波要求的滤波过程,还可以通过调整滤波器参数观察滤波效果的差异,形象地展现光学空间滤波过程的物理本质,提高教学效果. 相似文献
150.
The analytical expression for the beam propagation factor (M2-factor) of a radial Gaussian-Schell model (GSM) beam array propagating in non-Kolmogorov turbulence is derived. The influences of beam number, ring radius and generalized exponent on the M2-factor are investigated. The results indicate that the M2-factor has great dependence on the generalized exponent and the beam number. Moreover, there is an optimum ring radius, which leads to a minimum M2-factor and increases with increase in beam number. Further, the M2-factor for the superposition of the intensity is larger than that for the superposition of the cross-spectral density function (CSDF). However, the M2-factor for the superposition of the intensity is less sensitive to the turbulence than that for the superposition of the CSDF. 相似文献