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61.
62.
在一定的温度、压力等条件下,采用有机材料(聚四氟乙烯)和无机晶体(KBr、CsI),通过热合技术研制出样品几何尺寸为Φ20mm×3-5mm、透射波段分别为15-38μm(PE-KBr)和15-60μm(PE-CsI)的透极远红外复合光学材料。抗腐蚀性能测试结果表明,材料耐强酸、强碱及部分有机溶剂。机械性能分析表明材料在小于115℃范围内可安全使用。极远红外透过率测试结果表明,在1-15μm波段,平均透过率小于15%,15-38μm和15-60μm极远红外波段,平均透过率大于50%,并对影响材料透过率的因素进行了分析。 相似文献
63.
Wenyu Fang Yiyu Feng Jian Gao Hui Wang Jing Ge Qingbin Yang Wei Feng 《Molecules (Basel, Switzerland)》2022,27(10)
Molecular photoswitches are considered to be important candidates in the field of solar energy storage due to their sensitive and reversible bidirectional optical response. Nevertheless, it is still a daunting challenge to design a molecular photoswitch to improve the low solar spectrum utilization and quantum yields while achieving charging and discharging of heat without solvent assistance. Herein, a series of visible-light-driven ethylene-bridged azobenzene (b-Azo) chromophores with different alkyne substituents which can undergo isomerization reactions promoted in both directions by visible light are reported. Their visible light responsiveness improves their solar spectrum utilization while also having high quantum yields. In addition, as the compounds are liquids, there is no need to dissolve the compounds in order to exploit this switching. The photoisomerization of b-Azo can be adjusted by alkyne-related substituents, and hexyne-substituted b-Azo is able to store and release photothermal energy with a high density of 106.1 J·g−1, and can achieve a temperature increase of 1.8 °C at a low temperature of −1 °C. 相似文献
64.
Bowei Yan Xiaona Ye Jing Wang Junshan Han Lianlian Wu Song He Kunhong Liu Xiaochen Bo 《Molecules (Basel, Switzerland)》2022,27(10)
In the process of drug discovery, drug-induced liver injury (DILI) is still an active research field and is one of the most common and important issues in toxicity evaluation research. It directly leads to the high wear attrition of the drug. At present, there are a variety of computer algorithms based on molecular representations to predict DILI. It is found that a single molecular representation method is insufficient to complete the task of toxicity prediction, and multiple molecular fingerprint fusion methods have been used as model input. In order to solve the problem of high dimensional and unbalanced DILI prediction data, this paper integrates existing datasets and designs a new algorithm framework, Rotation-Ensemble-GA (R-E-GA). The main idea is to find a feature subset with better predictive performance after rotating the fusion vector of high-dimensional molecular representation in the feature space. Then, an Adaboost-type ensemble learning method is integrated into R-E-GA to improve the prediction accuracy. The experimental results show that the performance of R-E-GA is better than other state-of-art algorithms including ensemble learning-based and graph neural network-based methods. Through five-fold cross-validation, the R-E-GA obtains an ACC of 0.77, an F1 score of 0.769, and an AUC of 0.842. 相似文献
65.
Shanshan Wang Xianbo Kong Zhangjing Chen Guopin Wang Juan Zhang Jing Wang 《Molecules (Basel, Switzerland)》2022,27(13)
Alzheimer’s disease (AD) is a progressive neurological condition. The rising prevalence of AD necessitates the rapid development of efficient therapy options. Despite substantial study, only a few medications are capable of delaying the disease. Several substances with pharmacological activity, derived from plants, have been shown to have positive benefits for the treatment of AD by targeting various enzymes, such as acetylcholinesterase (AChE), butyrylcholinesterase (BuChE), β-secretase, γ-secretase, and monoamine oxidases (MAOs), which are discussed as potential targets. Medicinal plants have already contributed a number of lead molecules to medicine development, with many of them currently undergoing clinical trials. A variety of medicinal plants have been shown to diminish the degenerative symptoms associated with AD, either in their raw form or as isolated compounds. The aim of this review was to provide a brief summary of AD and its current therapies, followed by a discussion of the natural compounds examined as therapeutic agents and the processes underlying the positive effects, particularly the management of AD. 相似文献
66.
67.
本文采用基于压力修正算法的可压缩交变流动程序,采用适体坐标生成网格,AUSM 格式离散N-S方程和能量方程,计算了二维基本型热声制冷机板叠内的流动与换热情况,探讨了板叠附近的温度随时间的变化,分析了周期时均能量.由模拟结果可以看出,在气体冷端,能量由气体进入板叠,时均能量为正,在气体热端,能量由板叠进入气体,时均能量为负,板叠热端的时均能量稍大于板叠冷端的时均能量,板叠产生了冷量.但与输入功相比,板叠产生的冷量较小,因此系统的内能增加,气体冷端的温度增加.并且随着板叠的厚度的增加,板叠冷热端温差先增大后减小,并存在最佳板叠厚度使得冷热端的温差达到最大. 相似文献
68.
Single-Stage Extraction and Separation of Co2+ from Ni2+ Using Ionic Liquid of [C4H9NH3][Cyanex 272]
The purpose of this study was to optimize the extraction conditions for separating Co2+ from Ni2+ using N-butylamine phosphinate ionic liquid of [C4H9NH3][Cyanex 272]. A Box–Behnken design of response surface methodology was used to analyze the effects of the initial pH, extraction time, and extraction temperature on the separation factor of Co2+ from sulfuric acid solution containing Ni2+. The concentrations of Co2+ and Ni2+ in an aqueous solution were determined using inductively coupled plasma-optical emission spectrometry. The optimized extraction conditions were as follows: an initial pH of 3.7, an extraction time of 55.8 min, and an extraction temperature of 330.4 K. The separation factor of Co2+ from Ni2+ under optimized extraction conditions was 66.1, which was very close to the predicted value of 67.2, and the error was 1.7%. The equation for single-stage extraction with high reliability can be used for optimizing the multi-stage extraction process of Co2+ from Ni2+. The stoichiometry of chemical reaction for ion-exchange extraction was also investigated using the slope method. 相似文献
69.
70.
Using the coherent state representation we derive some new operator
identities and study some mathematical relations in combinatorics. The
technique of integral within an ordered product (IWOP) of operators plays an
essential role in realizing our goal. 相似文献