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111.
112.
利用原位红外技术研究了CH3OH、CO、O2等在Pd/γAl2O3上的吸附情况及CH3OH和O2共吸附时表面物种的变化,结果表明:表面纯净的Pd/γAl2O3催化剂对甲醇具有很好的解离吸附性能,在无氧条件下,CH3OH可在其上脱氢产生HCHO及CO。Pd对O2的吸附力强,氧均以解离方式吸附于Pd/γAl2O3上。当吸附的[CH3O]与[O]在Pd/γAl2O3上相互作用时,可产生HCHO、CO、甲二氧基、甲酸根等中间物种 相似文献
113.
We report the time courses of five solid-phase reactions obtained using single bead FTIR microspectroscopy. This time-resolved information aided in the determination of the required reaction time, the nature of the solid-phase reaction, and resin property, effectively assisting in the initial phase of our combinatorial chemistry efforts. Our results showed that solid-phase organic reactions proceed faster than generally speculated. In addition, we have shown that reactions on the surface and in the interior of the bead occur at the same rate for reactions studied. The reaction on the TentaGel resin was shown to be not faster than reactions on Wang resin, suggesting that the diffusion of the substrate into polystyrene bead copolymerized with 1% divinylbenzene is not rate-limiting. Finally, the capability of obtaining IR spectra from the partial surface of a single bead demonstrated the femtomolar detection limit of single bead FTIR microspectroscopy. 相似文献
114.
Yuan L Feng W Yamato K Sanford AR Xu D Guo H Gong B 《Journal of the American Chemical Society》2004,126(36):11120-11121
Highly efficient, one-step macrocyclizations leading to the formation of macrocyclic hexa(aramides) in high yields (69-82%) are described. The one-step macrocyclizations were facilitated by the preorganization or folding of the backbones of uncyclized precursors in the course of macrocyclization. The preorganization of backbones was achieved by the presence of localized three-centered hydrogen bonds that were adopted in the design of a class of closely related, backbone-rigidified foldamers. The macrocyclization involved reactions between diacid chloride 1 and diamine 2. The crude reaction mixtures and products were conveniently examined by mass spectrometric method (MALDI-TOF). Compared to most traditional one-step macrocyclizations that usually require high dilution conditions and often lead to very low overall yields of the desired products, cyclic hexamers 3 were obtained as the overwhelmingly major product under a variety of reaction conditions, suggesting the generality of this approach. 相似文献
115.
IntroductionZeoliteZSM-35isclassifiedasfcrricritc(FER)t\pc.x'hicllalsoincludesZSM-ZI.ZSM-38andFER.Zeolitesofthist}'pcha\lcrclatit'CI}UlldiscrinlinablcXRDpattcnlswhichindicatetheirsinlilarit\'illst,u.tu,.,I11.Thehighsiliceousfonllsofthesezeolitesarcgcllcra… 相似文献
116.
Template-synthesized LiCoO2, LiMn2O4, and LiNi0.8 Co0.2 O2 nanotubes as the cathode materials of lithium ion batteries 总被引:6,自引:0,他引:6
The first point of this work is to synthesize LiCoO2, LiNi0.8 Co0.2 O2, and LiMn2O4 nanotubes with the template of porous anodic aluminum oxide by thermal decomposition of sol-gel precursors. The as-synthesized materials were open-ended nanotubes with uniform shape and size based on the analysis of scanning electron microscopy, transmission electron microscopy, and X-ray diffraction. An "in situ reaction from nanoparticle to nanotube" mechanism was discussed for the formation process of the nanotubes. The second point of this paper is to investigate the electrochemical properties of the as-synthesized nanotubes for the cathode materials of lithium ion batteries. It was found that the nanotube electrodes exhibited better reversibility and higher discharge capacities than that of their nanocrystalline counterparts. The reason for the improved electrochemical performance of the nanotube electrodes was also interpreted. 相似文献
117.
Carbon nanotubes used for constructing biosensor was described for the first time. Single-wall carbon nanotubes (SWNTs) functionalized with carboxylic acid groups were used to immobilize glucose oxidase forming a glucose biosensor. The biosensor response can be determined by amperometric method at a low applied potential (0.40V). 相似文献
118.
采用密度泛函方法在B3LYP/6-31+G**水平上研究了2',3'-二脱氧-2',3'-二去氢鸟嘌呤核苷分子(D4G)的构象. 分别研究在气相中的孤立分子和一水合物异构体的相对稳定性和异构体之间的相互转变过程, 分析了水分子的参与对D4G异构体的相对稳定性和几何结构参数以及自然电荷的影响. 结果表明, 孤立的D4G分子在气相中存在8种稳定构象, 其中构象d4g-2是所有构象中最稳定的, 气相中D4G主要以d4g-2存在. 气相中各构象的相对稳定性为: d4g-2>d4g-1>d4g-5>d4g-3>d4g-6>d4g-4>d4g-8>d4g-7. 计算得到的各构象键长和键角数据与实验值接近. 一个水分子的加入对D4G分子的构型参数有所影响, 基本不改变D4G分子各构象的稳定性顺序, 但构象转变的能垒有所提高. 氢键在分子构象中发挥了重要作用. 相似文献
119.
从TGEV 3CL蛋白酶二聚体结构出发,研究了TGEV 3CL蛋白酶二聚体单体之间的静电和疏水相互作用.蛋白质的静电相互作用通过有限差分方法求解Poisson-Boltzmann方程得到,疏水相互作用通过分析溶剂可及性表面模型得到.考察了不同pH值对TGEV 3CL蛋白酶二聚体静电和疏水相互作用的影响,在pH值为5.5~8.5时,二聚体静电相互作用能、静电去溶剂化能和疏水自由能都较小,表明在该条件下静电和疏水相互作用有利于二聚体的稳定存在,这符合实验结晶所需条件.pH值对静电去溶剂化能的影响大于疏水自由能,表明静电作用是造成强酸或强碱条件下二聚体不能稳定存在的主要原因. 相似文献
120.
Ag+、Hf2+与Tl3+对Belousov-Zhabotinskii反应影响的初步研究 总被引:1,自引:0,他引:1
本文初步研究TAg+、Hg’十与T13十对以Mh‘十为催化剂的B-Z反应的影响,观察这些Br’去除离子存在下的极投环行为,并对其机理进行初步研讨.按照FKN机理同,B-Z反应是受Br一控制的.1979年N。SZtiCZills将适量的Ag十加入B·Z反应系统,澳离子选择电极上振荡虽被抑制了,但拍电极上却出现频率更高的振荡问.由于Ag十与Bt一生成了AgBr沉淀,使系统的[Br则降至其临界值以下,因此,Noszticzius认为不可能是Br控制的,FKN机理不再适用.1981年K5rs。等人报导了能与Br一形成稳定配合物的Hg‘十与T户十对B-Z反应的影响[3]… 相似文献