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991.
992.
根据爱因斯坦方程和Marcus电荷传输模型, 使用密度泛函理论B3lyp/6-31g**理论水平计算6 个吐昔烯衍生物分子的结构和电荷传输性质. 结果显示: 6个吐昔烯的衍生物分子的空穴迁移速率为0.018–0.062 cm2·V-1·s-1, 电子迁移率为0.055–0.070 cm2·V-1·s-1, 其中3, 8, 13-辛烷氧基吐昔烯衍生物分子适合作为双极性传输材料. 三条烷氧基链的吐昔烯衍生物分子上引入三个甲氧基或羟基, 均使空穴和电子传输率降低. 引入给电子基团或共轭性基团可减小吐昔烯衍生物分子的能隙, 达到有机半导体的能隙要求.
关键词:
吐昔烯衍生物
空穴传输
电子传输
有机半导体 相似文献
993.
994.
为了利用吸附等温线理论模型模拟高真空多层绝热LNG槽车内吸气剂的吸附过程,对在真空技术中常用的等温式进行了分析研究。通过实验获得吸气剂在室温下的吸氢等温线,同时利用实验数据得到考虑分子间作用力的BET模型中的参数值。将模型结果与实验数据进行对比分析,结果表明:考虑分子间作用力的BET模型不能用作高真空多层绝热LNG槽车真空夹层内吸气剂吸附量的计算。利用Temkin和Freundlich等温式分段对实验数据进行拟合,对于1#吸气剂,拟合方程式计算得出的吸附量与实验数据的相对误差仅为2.6%,表明拟合方程能够对吸气剂在室温下的吸氢量进行准确预测。 相似文献
995.
利用半导体激光泵浦输出1064 nm波长的全固态连续Nd:YVO4激光器作为泵浦源,采用周期调谐和温度调谐组合调谐技术,对基于掺氧化镁周期性极化铌酸锂晶体(MgO:LiNbO3, PPMgLN)准相位匹配(QPM)的全固态连续波(CW)光学参量振荡器(OPO)宽波段无分立连续调谐输出特性进行研究。实验采用连续工作模式和外腔结构,基于多周期PPMgLN晶体的30.2,30.4和30.6 m周期,在改变晶体的极化周期的基础上,同时在30~100 ℃范围内调节晶体工作温度。实验结果表明:CW PPMgLN OPO的泵浦阈值仅为0.22 W;不同极化周期需要的温度调谐范围不同;信号光在1 559.8~1 597.2 nm近红外波段和闲频光在3 187.3~3 347.3 nm中红外波段连续调谐输出。实现了外腔式全固态CW OPO在信号光和闲频光波段的无分立连续调谐输出。 相似文献
996.
采用激发波长800 nm、脉宽50 fs、重复频率1 kHz的Ti:sapphire放大飞秒激光器作为激发光源,利用开孔Z扫描技术研究了不同粒径的CdTe:Mn量子点的非线性吸收性质。理论计算结果表明,同一生长时间CdTe:Mn量子点的双光子吸收系数是CdTe量子点的1.1倍,其双光子吸收系数随量子点尺寸的减小而增大,这是由于CdTe:Mn量子点非线性吸收属于反饱和吸收,掺杂了Mn元素,减小了表面缺陷浓度,表明掺杂量子点具有很好的双光子吸收现象。 相似文献
997.
Hypercrosslinked polymers (HCPs) are currently receiving great interest due to their easy preparation, high chemical and thermal stability, and low cost. Combined with the lightweight properties and high surface areas HCPs can be considered as promising materials for gas storage and separation, catalysis, and heavy metal ions removal in wastewater treatment. This Feature Article summarizes strategies for the preparation of HCPs, comprising the post‐crosslinking of “Davankov‐type” resins, direct polycondensation of aromatic chloromethyl (or hydroxymethyl) monomers, and knitting aromatic compound polymers (KAPs). The HCPs applications, such as H2 storage, CO2 capture, and heterogeneous catalysis, are also discussed throughout in the article. Finally, the outlook of this research area is given. 相似文献
998.
Rui‐Min Luo Shi‐Miao Tan Yan‐Ping Zhou Shu‐Juan Liu Hui Xu Dan‐Dan Song Yan‐Fang Cui Hai‐Yan Fu Tian‐Ming Yang 《Journal of Chemometrics》2013,27(7-8):198-206
The present study demonstrated the possibility of utilizing the ytterbium (Yb)‐based internal standard near‐infrared (NIR) spectroscopic measurement technique coupled with multivariate calibration for quantitative analysis of tea, including total free amino acids and total polyphenols in tea. Yb is a rare earth element aimed to compensate for the spectral variation induced by the alteration of sample quantity during the spectral measurement of the powdered samples. Boosting was invoked to be combined with least‐squares support vector regression (LS‐SVR), forming boosting least‐squares support vector regression (BLS‐SVR) for the multivariate calibration task. The results showed that the tea quality could be accurately and rapidly determined via the Yb‐based internal standard NIR spectroscopy combined with BLS‐SVR method. Moreover, the introduction of boosting drastically enhanced the performance of individual LS‐SVR, and BLS‐SVR compared favorably with partial least‐squares regression. Copyright © 2013 John Wiley & Sons, Ltd. 相似文献
999.
Xiangling Xiong Cuichen Wu Cuisong Zhou Guizhi Zhu Zhuo Chen Weihong Tan 《Macromolecular rapid communications》2013,34(16):1271-1283
The term hydrogel describes a type of soft and wet material formed by cross‐linked hydrophilic polymers. The distinct feature of hydrogels is their ability to absorb a large amount of water and swell. The properties of a hydrogel are usually determined by the chemical properties of their constituent polymer(s). However, a group of hydrogels, called “smart hydrogels,” changes properties in response to environmental changes or external stimuli. Recently, DNA or DNA‐inspired responsive hydrogels have attracted considerable attention in construction of smart hydrogels because of the intrinsic advantages of DNA. As a biological polymer, DNA is hydrophilic, biocompatible, and highly programmable by Watson‐Crick base pairing. DNA can form a hydrogel by itself under certain conditions, and it can also be incorporated into synthetic polymers to form DNA‐hybrid hydrogels. Functional DNAs, such as aptamers and DNAzymes, provide additional molecular recognition capabilities and versatility. In this Review, DNA‐based hydrogels are discussed in terms of their stimulus response, as well as their applications.
1000.
Poly(N‐isopropylacrylamide)‐block‐poly(l ‐lactic acid)‐block‐poly(N‐isopropylacrylamide) (PNIPAAM‐b‐PLLA‐b‐PNIPAAM) and PNIPAAM‐b‐PDLA‐b‐PNIPAAM triblock copolymers with varying polylactic acid (PLA) lengths are synthesized using a combination of ring‐opening polymerization and atom‐transfer radical polymerization. Results of 1H NMR and gel permeation chromatography analyses show that the copolymers have a well‐defined triblock structure and the PLA segment lengths can be readily controlled with monomer feed ratio. Stereocomplexation between the enantiomeric PLA segments is confirmed with differential scanning calorimetry and wide‐angle X‐ray scattering. Dynamic light scattering experiments show that (1) the LCST of PNIPAAM in water could be tailored from 32 °C up to 38.5 °C by increasing the length of PLA segments and mixing copolymers of similar molecular weight with enantiomeric PLA segments to induce stereocomplexation, and (2) the LCST of each mixed copolymer system could be tailored within a 2–3 °C range of body temperature by manipulating the ratio of the enantiomeric copolymers in solution.