全文获取类型
收费全文 | 16365篇 |
免费 | 3130篇 |
国内免费 | 2855篇 |
学科分类
数理化 | 22350篇 |
出版年
2024年 | 26篇 |
2023年 | 218篇 |
2022年 | 426篇 |
2021年 | 525篇 |
2020年 | 719篇 |
2019年 | 578篇 |
2018年 | 598篇 |
2017年 | 673篇 |
2016年 | 850篇 |
2015年 | 727篇 |
2014年 | 1031篇 |
2013年 | 1600篇 |
2012年 | 1161篇 |
2011年 | 1188篇 |
2010年 | 970篇 |
2009年 | 1030篇 |
2008年 | 1074篇 |
2007年 | 1147篇 |
2006年 | 1013篇 |
2005年 | 896篇 |
2004年 | 807篇 |
2003年 | 726篇 |
2002年 | 562篇 |
2001年 | 527篇 |
2000年 | 504篇 |
1999年 | 389篇 |
1998年 | 394篇 |
1997年 | 297篇 |
1996年 | 284篇 |
1995年 | 238篇 |
1994年 | 258篇 |
1993年 | 171篇 |
1992年 | 157篇 |
1991年 | 99篇 |
1990年 | 83篇 |
1989年 | 77篇 |
1988年 | 63篇 |
1987年 | 46篇 |
1986年 | 44篇 |
1985年 | 34篇 |
1984年 | 31篇 |
1983年 | 9篇 |
1982年 | 27篇 |
1981年 | 10篇 |
1980年 | 17篇 |
1979年 | 13篇 |
1978年 | 10篇 |
1973年 | 5篇 |
1971年 | 3篇 |
1957年 | 4篇 |
排序方式: 共有10000条查询结果,搜索用时 15 毫秒
1.
低维硅锗材料是制备纳米电子器件的重要候选材料,是研发高效率、低能耗和超高速新一代纳米电子器件的基础材料之一,有着潜在的应用价值。采用密度泛函紧束缚方法分别对厚度相同、宽度在0.272 nm~0.554 nm之间的硅纳米线和宽度在0.283 nm~0.567 nm之间的锗纳米线的原子排布和电荷分布进行了计算研究。硅、锗纳米线宽度的改变使原子排布,纳米线的原子间键长和键角发生明显改变。纳米线表层结构的改变对各层内的电荷分布产生重要影响。纳米线中各原子的电荷转移量与该原子在表层内的位置相关。纳米线的尺寸和表层内原子排列结构对体系的稳定性产生重要影响。 相似文献
2.
本文用含时密度泛函理论研究了线性Na原子链的表面等离激元机理.主要在原子尺度下模拟计算了体系随着原子数增加及原子间距变化的集体激发过程.研究发现线性原子链有一个普遍的特性——存在一个纵模和两个横模.两个横模一般在实验上很难被观测到.纵模随着原子链长度增加,能量红移的同时,该纵模主峰的强度呈线性增长.随着原子个数的增加,端点模式(TE)开始蓝移,能量和偶极强度都逐渐趋向饱和.横模能量被劈裂的原因概括如下:(一)每个位置的电子受到的势不同,在两端的电子受到的势要比在中间的电子受到的势要高,因此两端的电荷积累也比中间多;(二)端点存在悬挂键,所以中间的电子-电子间相互作用与端点的不一样,这两方面又都与原子间距d有关. 相似文献
3.
Close‐Packed Two‐Dimensional Silver Nanoparticle Arrays: Quadrupolar and Dipolar Surface Plasmon Resonance Coupling 下载免费PDF全文
Sukang Yun Soonchang Hong Jesus A. I. Acapulco Jr. Ho Young Jang Songyi Ham Kyungeun Lee Prof. Seong Kyu Kim Prof. Sungho Park 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(16):6165-6172
Silver nanoparticles (NPs) ranging in size from 40 to 100 nm were prepared in high yield by using an improved seed‐mediated method. The homogeneous Ag NPs were used as building blocks for 2D assembled Ag NP arrays by using an oil/water interface. A close‐packed 2D array of Ag NPs was fabricated by using packing molecules (3‐mercaptopropyltrimethoxysilane) to control the interparticle spacing. The homogeneous 2D Ag NP array exhibited a strong quadrupolar cooperative plasmon mode resonance and a dipolar red‐shift relative to individual Ag NPs suspended in solution. A well‐arranged 2D Ag NP array was embedded in polydimethylsiloxane film and, with biaxial stretching to control the interparticle distance, concomitant variations of the quadrupolar and dipolar couplings were observed. As the interparticle distance increased, the intensity of the quadrupolar cooperative plasmon mode resonance decreased and dipolar coupling completely disappeared. The local electric field of the 2D Ag NP array was calculated by using finite difference time domain simulation and qualitatively showed agreement with the experimental measurements. 相似文献
4.
The biodegradability of phtalic acid esters in marine and freshwater environments was characterized by their binding free energy with corresponding degrading enzymes. According to comprehensive biodegradation effects weights, the binding free energy values were converted into dimensionless efficacy coefficient using ratio normalization method. Then, considering comprehensive dual biodegradation effects value and the structural parameters of PAEs in both marine and freshwater environments, a 3D-QSAR pharmacophore model was constructed, five PAE derivatives (DBP−COOH, DBP−CHO, DBP−OH, DINP−NH2, and DINP−NO2) were screened out based on their environmental friendliness, functionality and stability. The prediction of biodegradation effects on five PAE derivatives by biodegradation models in marine and freshwater environment increased by 15.90 %, 15.84 %, 27.21 %, 12.33 %, and 8.32 %, and 21.57 %, 15.21 %, 20.99 %, 15.10 %, and 9.74 %, respectively. By simulating the photodegradation path of the PAE derivative molecular, it was found that DBP−OH can generate .OH and provides free radicals for the photodegradation of microplastics in the environment. 相似文献
5.
煤直接液化油中混合酚的分离研究 《燃料化学学报》2019,47(11):1298-1304
利用分子筛择形特点,对煤直接液化油中的混合酚实施高效分离。本研究选取间甲酚和对甲酚作为分离煤直接液化油馏分段混合酚的模型化合物,采用化学液相沉积法对HZSM-5吸附剂的孔口结构进行改变,分析分子筛硅铝比及颗粒粒径对模型化合物间甲酚和对甲酚吸附分离性能的影响,以获得高性能固相吸附剂,并将其应用于180-190℃馏分段混合酚分离。结果表明,当分子筛硅铝比为25、粒径为3-5 μm时,分子筛的孔口结构调节效果最优;当正硅酸乙酯的最小用量为0.2 mL/g时,固相吸附剂的吸附量为0.03 g/g,对甲酚选择性高于95%。由于外表面沉积物对吸附剂的孔口结构变化,导致对甲酚选择性的提高。进一步采用HZSM-5(1)吸附剂对真实煤直接液化油混合酚的分离中发现,苯酚和对甲酚的选择性均达到100%。 相似文献
6.
Yongjie Zhou Yuqi Mei Tian Luo Wenxue Chen Qiuping Zhong Haiming Chen Weijun Chen 《Molecules (Basel, Switzerland)》2021,26(9)
The contribution of rheological properties and viscoelasticity of the interfacial adsorbed layer to the emulsification mechanism of enzymatic modified sugar beet pectin (SBP) was studied. The component content of each enzymatic modified pectin was lower than that of untreated SBP. Protein and ferulic acid decreased from 5.52% and 1.08% to 0.54% and 0.13%, respectively, resulting in a decrease in thermal stability, apparent viscosity, and molecular weight (Mw). The dynamic interfacial rheological properties showed that the interfacial pressure and modulus (E) decreased significantly with the decrease of functional groups (especially proteins), which also led to the bimodal distribution of particle size. These results indicated that the superior emulsification property of SBP is mainly determined by proteins, followed by ferulic acid, and the existence of other functional groups also promotes the emulsification property of SBP. 相似文献
7.
Thalia Tsiaka Panagiotis Zoumpoulakis Vassilia J. Sinanoglou Constantinos Makris Georgios A. Heropoulos Antony C. Calokerinos 《Analytica chimica acta》2015
High-energy assisted extraction techniques, like ultrasound assisted extraction (UAE) and microwave assisted extraction (MAE), are widely applied over the last years for the recovery of bioactive compounds such as carotenoids, antioxidants and phenols from foods, animals and herbal natural sources. Especially for the case of xanthophylls, the main carotenoid group of crustaceans, they can be extracted in a rapid and quantitative way with the use of UAE and MAE. 相似文献
8.
9.
在管式反应器中采用苯甲酸、聚乙二醇、固体古马隆树脂(S)、液体古马隆树脂(L)为添加剂来降低煤沥青中有害物质苯并芘的含量,以期使得煤沥青可绿色化应用。采用紫外-可见分光光度计分析煤沥青中苯并芘含量。考察了反应温度、反应时间、添加剂添加量、催化剂等工艺条件对添加剂脱除煤沥青中苯并芘的影响。结果表明,不同工艺条件能降低煤沥青中苯并芘的含量。在优化条件下,不同添加剂对苯并芘脱除率由高到低依次为:液体古马隆树脂、聚乙二醇、苯甲酸和固体古马隆树脂。分析其反应机理,这与催化剂的酸性相关,发生亲电取代反应。结果表明,液体古马隆树脂(L)在催化剂存在下对煤沥青中苯并芘脱除率可达73.0%,显示了良好的应用前景。 相似文献
10.
Sensitivity improvement of aluminum-based far-ultraviolet nearly guided-wave surface plasmon resonance sensor 下载免费PDF全文
An aluminum (Al) based nearly guided-wave surface plasmon resonance (NGWSPR) sensor is investigated in the far-ultraviolet (FUV) region. By simultaneously optimizing the thickness of Al and dielectric films, the sensitivity of the optimized Al-based FUV-NGWSPR sensor increases from 183°/RIU to 309°/RIU, and its figure of merit rises from 26.47 RIU-1 to 32.59 RIU-1 when the refractive index of dielectric increases from 2 to 5. Compared with a traditional FUV-SPR sensor without dielectric, the optimized FUV-NGWSPR sensor can realize simultaneous improvement of sensitivity and figure of merit. In addition, the FUV-NGWSPR sensor with realistic materials (diamond, Ta2O5, and GaN) is also investigated, and 137.84%, 52.70%, and 41.89% sensitivity improvements are achieved respectively. This work proposes a method for performance improvement of FUV-SPR sensors by exciting nearly guided-wave, and could be helpful for the high-performance SPR sensor in the short-wavelength region. 相似文献