全文获取类型
收费全文 | 111篇 |
免费 | 4篇 |
国内免费 | 17篇 |
专业分类
化学 | 99篇 |
晶体学 | 1篇 |
力学 | 2篇 |
数学 | 4篇 |
物理学 | 26篇 |
出版年
2024年 | 1篇 |
2023年 | 1篇 |
2022年 | 4篇 |
2021年 | 5篇 |
2020年 | 6篇 |
2019年 | 4篇 |
2018年 | 7篇 |
2017年 | 5篇 |
2016年 | 4篇 |
2015年 | 5篇 |
2014年 | 4篇 |
2013年 | 1篇 |
2012年 | 10篇 |
2011年 | 15篇 |
2010年 | 2篇 |
2009年 | 1篇 |
2008年 | 6篇 |
2007年 | 4篇 |
2006年 | 14篇 |
2005年 | 5篇 |
2004年 | 5篇 |
2003年 | 4篇 |
2002年 | 5篇 |
2001年 | 1篇 |
2000年 | 6篇 |
1999年 | 2篇 |
1998年 | 1篇 |
1996年 | 1篇 |
1995年 | 1篇 |
1990年 | 1篇 |
1989年 | 1篇 |
排序方式: 共有132条查询结果,搜索用时 15 毫秒
1.
QI Yuanhua GUAN Daren & LIU Chengbu . Institute of Theoretical Chemistry Shandong University Jinan China . School of Physics Microelectronics Shandong University Jinan China 《中国科学B辑(英文版)》2006,49(6):492-498
The density functional theory (DFT) combining with the non-equilibrium Green functions (NEGF) method is applied to the study of the electronic transport properties for a Di-thiol-benzene (DTB) molecule coupled to two Au(111) surfaces. The dependence of the transport properties on the bias, the coupling geometry of the molecule-electrode interface, and the intermolecular interaction are examined in detail. The results show that the existence of the hydrogen atom at the end of the DTB molecule would significantly decrease the transmission coefficients, and then the differential conductance (dI/dV). By changing the position of the DTB molecule located between two electrodes a maximum value of calculated current is observed. It is also found that the intermolecular interaction will strongly influence the transport properties of the system studied. 相似文献
2.
3.
4.
Pomponlike La2(MoO4)3 microstructures assembled with single-crystalline nanoflakes have been facilely fabricated via a surfactant-assisted ultrasound route for the first time. Various synthesis conditions were examined, such as the surfactant concentration, the molecular structure of surfactants, and the pH value. The obtained pomponlike microstructures were characterized by X-ray diffraction (XRD), (field-emission) scanning electron microscopy [(FE)SEM], transmission electron microscopy (TEM), and nitrogen adsorption/desorption isotherms. It has been revealed that a minimum concentration of sodium dodecylsulfate (SDS) was required for the formation of pomponlike La2(MoO4)3 microstructures. When the SDS concentration is above 0.02 mol L−1, the pomponlike microstructures become more perfect, and the size is also increased with the increasing SDS concentration. Under the same sonication, similar pomponlike microstructures were obtained when a cationic surfactant, cetyltrimethyl ammonium bromide (CTAB), was used instead of the anionic surfactant SDS, indicating that the hydrophobic alkyl chains are an important factor for the formation of the pomponlike La2(MoO4)3 microstructures. It is also found that the pomponlike La2(MoO4)3 microstructures can only be obtained within an optimal pH range of 8.0–9.0 under sonication. Based on TEM, Fourier transform infrared spectroscopy (FT-IR) and solubilization experiment, a formation mechanism of pomponlike La2(MoO4)3 microstructures was proposed, in which the collaborative action of surfactants and sonication plays a key role. Furthermore, the porosity of the pomponlike La2(MoO4)3 microstructures were discussed. 相似文献
5.
Du Min Zhang Feng Zhang Xiaofei Dong Wentao Sang Yuanhua Wang Jianjun Liu Hong Wang Shuhua 《中国科学:化学(英文版)》2020,63(12):1767-1776
Science China Chemistry - Rechargeable aqueous zinc ion batteries (ZIBs), with the easy operation, cost effectiveness, and high safety, are emerging candidates for high-energy wearable/portable... 相似文献
6.
贵金属Au冷却过程中结构及能量变化的分子动力学计算机模拟 总被引:1,自引:0,他引:1
通过分子动力学方法,研究了不同冷速下贵金属Au在温度2000~300K的冷却过程中微观结构的变化特点。结果发现,冷却速度对Au的微观结构产生重要影响。采用偶关联函数和键对分析技术对原子局域团簇结构进行分析,并考察了冷却过程中原子势能随温度的变化,比较了Au的微观结构转变与能量变化的对应关系,从能量转化的角度对冷却过程中Au的结构变化进行了说明。 相似文献
7.
Different from Rh(II) catalysts, X-H (X = O, S, N) insertion of methyl styryldiazoacetate catalyzed by Lewis acids including Cu(I), Cu(II) and Ag(I) complexes occurred at γ-position preferably. Only (E)-isomer was observed in the reactions. This method provides an alternative for the synthesis of γ-hydroxyl or γ-amino acid derivatives. 相似文献
8.
通过紫外-可见光谱、荧光光谱、同步荧光光谱、圆二色谱、衰减全反射红外光谱、负染-透射电镜、等温滴定微量热等实验方法系统地探讨了咪唑型离子液体与牛血清蛋白(BSA)的缔合特性.结果发现,离子液体[Bmim]Cl的加入使得BSA的紫外吸收强度增加,同时也会导致其荧光猝灭,并且这种猝灭是静态猝灭.同步荧光的研究结果表明,[Bmim]Cl分子可与蛋白质中接近色氨酸残基的区域发生相互作用,使蛋白质的构象和内部的疏水结构发生改变;负染色法透射电镜直观地显示了加入离子液体后形成的蛋白质-离子液体复合物结构逐渐变大;圆二色谱和衰减全反射红外光谱表明:在离子液体与BSA缔合过程中,离子液体的加入使得BSA二级结构中的α-螺旋和β-折叠的含量降低,从而引起蛋白质二级结构的变化;表面张力法和等温滴定微量热法进一步证实上述缔合作用为静电作用和疏水作用共同作用的结果,但离子液体的烷基链与BSA疏水内腔之间的疏水作用是离子液体与BSA缔合的主要驱动力. 相似文献
9.
Yuanhua Liu Najun Li Xuewei Xia Jianfeng Ge Qingfeng Xu Jianmei Lu 《European Polymer Journal》2011,47(5):1160-1167
Two styrene/maleimiade copolymers with pendant azobenzene chromophores, poly(styrene-1-(4-phenylazo-phenyl)-pyrrole-2,5-dione) (PS-DP) and poly((4-vinyl-benzyl)-9H-carbazole-1-(4-phenylazo-phenyl)-pyrrole-2,5-dione) (PVCz-DP), were synthesized. The polymeric memory devices based on each of the two polymer films (ITO/Polymer/Al) show similar rewritable flash memory behaviors but different transition voltages. By introduction of carbazole groups in the polymer side chains, the voltage difference from OFF to ON state of ITO/PVCz-DP/Al is reduced obviously in comparison with that of ITO/PS-DP/Al, which is beneficial to the protection of devices. Both ITO/PS-DP/Al and ITO/PVCz-DP/Al show high stability under a constant stress or continuous read pulses voltage of 1.0 V. The memory mechanism is governed by space-charge limited conduction (SCLC) on the basis of the I–V curves of these fabricated memory devices. With excellent flash memory characteristics and simple processability, the memory devices fabricated with these two styrene/maleimiade copolymers have potential applications for the future electronic memory devices. 相似文献
10.
Momotenko D Cortés-Salazar F Josserand J Liu S Shao Y Girault HH 《Physical chemistry chemical physics : PCCP》2011,13(12):5430-5440
Ionic transport in charged conical nanopores is known to give rise to ion current rectification. The present study shows that the rectification direction can be inverted when using electrolyte solutions at very low ionic strengths. To elucidate these phenomena, electroneutral conical nanopores containing a perm-selective region at the tip have been investigated and shown to behave like classical charged nanopores. An analytical model is proposed to account for these rectification processes. 相似文献