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利用密度泛函(DFT)三种交换/相关函数(B3LYP, B3PW91,B3P86)结合6-31G**和6-311G**基组,计算了13个取代氯苯化合物的键离解能. 结果表明B3P86/6-311G**方法是计算取代氯苯化合物键离解能的可信方法,研究发现C-Cl键的键离解能与所使用的基组和计算方法密切相关,取代基对C-Cl键的键离解能的影响不明显. 研究了目标化合物的前线轨道能级差,并对取代氯苯化合物的热稳定性做了评估. 相似文献
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大视场大相对孔径水下专用摄影物镜的设计 总被引:3,自引:1,他引:2
分析了大视场大相对孔径水下专用摄影物镜的设计特点.基于反摄远结构引入一个高次非球面设计了相对孔径为1/1.4,水下全视场66°,焦距11.85 mm,光谱响应范围0.48~0.60 μm,采用平面水密壳窗的水下专用摄影物镜.全视场MTF在空间频率42 lp/mm时高于0.4.与相同技术要求下全部采用球面透镜的设计进行比较,表明该摄影物镜结构更简单,成像质量也更优异,能够满足深水微光摄影物镜对大视场、大相对孔径、小型化、轻量化的需求. 相似文献
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A summary of results obtained in the study of natural products isolated from a Moraceae species Artocarpus champeden is presented. The various classes of 3-prenylflavonoids isolated and the biogenetical correlation between the metabolites are discussed. Some of the flavonoids exhibited strong cytotoxicity against murine leukemia P388 cell lines, suggesting that flavonoids derived from moraceous plants represent a plausible unexplored resource of novel antitumor leads. 相似文献
247.
Lia Bronsard Barbara Stoth 《Transactions of the American Mathematical Society》1998,350(12):4931-4953
We study the asymptotic behaviour of the solution to the vector-valued reaction-diffusion equation
where . We assume that the the potential depends only on the modulus of and vanishes along two concentric circles. We present a priori estimates for the solution , and, in the spatially radially symmetric case, we show rigorously that in the singular limit as , two phases are created. The interface separating the bulk phases evolves by its mean curvature, while evolves according to a harmonic map flow on the respective circles, coupled across the interfaces by a jump condition in the gradient.
248.
The detection of the lactate level in blood plays a key role in diagnosis of some pathological conditions including cardiogenic or endotoxic shocks, respiratory failure, liver disease, systemic disorders, renal failure, and tissue hypoxia. Here, we described for the first time the use of a novel mixed metal oxide solution system to address the oxygen dependence challenge of first generation amperometric lactate biosensors. The biosensors were constructed using ceria-copper oxide (CeO2–CuO) mixed metal oxide nanoparticles for lactate oxidase immobilization and as electrode material. The oxygen storage capacity (OSC, 492 μmol-O2/g) of these metal oxides has the potential to reduce the oxygen dependency, and thus eliminate false results originated from the fluctuations in the oxygen concentration. In an effort to compare the performance of our novel sensor design, ceria nanoparticle decorated lactate sensors were also constructed. The enzymatic activity of the sensors were tested in oxygen-rich and oxygen-lean solutions. Our results showed that the OSC of the electrode material has a big influence on the activity of the biosensors in oxygen-lean environments. While the CeO2 containing biosensor showed an almost 21% decrease in the sensitivity in a O2-depleted solution, the CeO2–CuO containing electrode, with a higher OSC value, experienced no drop in sensitivity when moving from oxygen-rich to oxygen-lean conditions. The CeO2–CuO decorated sensor showed a high sensitivity (89.3 ± 4 μA mM−1 cm−2), a wide linear range up to 0.6 mM, and a low limit of detection of 3.3 μM. The analytical response of the CeO2–CuO decorated sensors was studied by detecting lactate in human serum with good selectivity and reliability. The results revealed that CeO2–CuO containing sensors are promising candidates for continuous lactate detection. 相似文献
249.
Elena Eremeeva Dr. Michail Abramov Lia Margamuljana Prof. Jef Rozenski Dr. Valerie Pezo Dr. Philippe Marlière Prof. Piet Herdewijn 《Angewandte Chemie (International ed. in English)》2016,55(26):7515-7519
The ability of alternative nucleic acids, in which all four nucleobases are substituted, to replicate in vitro and to serve as genetic templates in vivo was evaluated. A nucleotide triphosphate set of 5‐chloro‐2′‐deoxyuridine, 7‐deaza‐2′‐deoxyadenosine, 5‐fluoro‐2′‐deoxycytidine, and 7‐deaza‐2′deoxyguanosine successfully underwent polymerase chain reaction (PCR) amplification using templates of different lengths (57 or 525mer) and Taq or Vent (exo‐) DNA polymerases as catalysts. Furthermore, a fully morphed gene encoding a dihydrofolate reductase was generated by PCR using these fully substituted nucleotides and was shown to transform and confer trimethoprim resistance to E. coli. These results demonstrated that fully modified templates were accurately read by the bacterial replication machinery and provide the first example of a long fully modified DNA molecule being functional in vivo. 相似文献
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