全文获取类型
收费全文 | 1185篇 |
免费 | 90篇 |
国内免费 | 25篇 |
专业分类
化学 | 1008篇 |
晶体学 | 8篇 |
力学 | 17篇 |
数学 | 95篇 |
物理学 | 172篇 |
出版年
2024年 | 2篇 |
2023年 | 14篇 |
2022年 | 47篇 |
2021年 | 50篇 |
2020年 | 78篇 |
2019年 | 78篇 |
2018年 | 110篇 |
2017年 | 79篇 |
2016年 | 85篇 |
2015年 | 60篇 |
2014年 | 93篇 |
2013年 | 131篇 |
2012年 | 99篇 |
2011年 | 79篇 |
2010年 | 59篇 |
2009年 | 46篇 |
2008年 | 58篇 |
2007年 | 44篇 |
2006年 | 20篇 |
2005年 | 23篇 |
2004年 | 12篇 |
2003年 | 12篇 |
2002年 | 3篇 |
2001年 | 5篇 |
2000年 | 1篇 |
1999年 | 2篇 |
1998年 | 2篇 |
1997年 | 3篇 |
1996年 | 1篇 |
1995年 | 1篇 |
1994年 | 1篇 |
1990年 | 1篇 |
1976年 | 1篇 |
排序方式: 共有1300条查询结果,搜索用时 15 毫秒
31.
32.
Nanomagnetically modified vitamin B3 (Fe3O4@Niacin): An efficient and reusable green biocatalyst for microwave‐assisted rapid synthesis of 2‐amino‐3‐cyanopyridines in aqueous medium 下载免费PDF全文
Superparamagnetic nanoparticles of modified vitamin B3 (Fe3O4@Niacin) represent a new, efficient and green biocatalyst for the one‐pot synthesis of 2‐amino‐3‐cyanopyridine derivatives via four‐component condensation reaction between aldehydes, ketones, malononitrile, and ammonium acetate under microwave irradiation in water. This new magnetic organocatalyst was easily isolated from the reaction mixture by magnetic decantation using an external magnet and reused at least six times without significant degradation in the activity. The catalyst was fully characterized by FT‐IR, XRD, SEM, VSM, UV–Vis, DLS and EDS. Excellent yield, very short reaction time (7–10 min), operational simplicity, easy work‐up procedure, avoidance of hazardous or toxic catalysts and organic solvents are the main advantages of this green methodology which makes it more economic than the other conventional methods. 相似文献
33.
Tungstate ions were successfully loaded onto triazine‐based ionic liquid‐functionalized magnetic nanoparticles through an anion exchange process. The use of triazine core for creating ionic liquid led to the immobilization of high amounts of WO42?. The resulting catalyst showed high activity and selectivity in the oxidation of sulfides to sulfoxides with H2O2 as a green oxidant at room temperature. In addition, due to the presence of ammonium groups in the catalyst structure, water dispersibility of the catalyst was increased. More important, the catalyst was magnetically recovered and reused for up to six runs without any marked decrease of activity and selectivity. Finally, easy gram‐scale oxidation of methylphenyl sulfide as well as fast separation of catalyst and product makes the protocol economical and industrially applicable. 相似文献
34.
Haleh Kangarlou Arash Abdollahi Maryam Motallebi Aghgonbad 《Optics and Spectroscopy》2012,113(3):321-326
Zinc sulfide nano layers were deposited on glass substrates at 300 K by physical vapor deposition method, under high vacuum conditions and different deposition angles. Thickness of the layers were measured 73 nm, by quartz crystal method. Optical reflectance and transmittance of the layers were measured in the wave length of 300?C1100 nm. Optical constants were calculated by Kramers-Kronig relations. The influence of deposition angle in optical properties of ZnS nano layers are investigated. By using Generalized Gradient Approximations in context of plane wave pseudo-potentials (norm conserving and Ultrasoft) and full-potential linearized augmented plane wave methods, Band structure calculated and compared with experimental results. Possible energy transitions are also reported. 相似文献
35.
Shirini Farhad Goli-Jolodar Omid Akbari Maryam Seddighi Mohadeseh 《Research on Chemical Intermediates》2016,42(5):4733-4749
Research on Chemical Intermediates - A novel Brønsted solid acid named poly(vinylpyrrolidonium) hydrogen phosphate ([PVP-H]H2PO4) has been prepared by using H3PO4 and poly(vinylpyrrolidone) as... 相似文献
36.
Davood Nori-Shargh Maryam Malek Hosseini Tina Ohaninan 《Phosphorus, sulfur, and silicon and the related elements》2013,188(10):2410-2420
An investigation employing the ab initio molecular orbital (MO) and density functional theory (DFT) methods to calculate structural optimization and conformational interconversion pathways for the two diastereoisomeric forms, (±) and meso configurations of 1,3,7,9-tetraphospha-cyclododeca-1,2,7,8-tetraene (1) was undertaken. Two axial symmetrical conformations are found for (±)-1 configuration. (±)-1-TB axial symmetrical form is found to be about 0.35 and 0.99 kcal mol?1 more stable than (±)-1-Crown axial symmetrical conformation, as calculated by HF/6-31G*//HF/6-31G* and B3LYP/6-31G*//HF/6-31G* levels of theory, respectively. The unsymmetrical meso-1-TBCC form is found to be the most stable geometry, among the various conformations of meso-1 configuration. HF/6-31G*//HF/6-31G* and B3LYP/6-31G*//HF/6-31G* results showed that between the two most stable conformations of (±) and meso configurations, (±)-1-TB is more stable than meso-1-TBCC by about 3.35 and 2.43 kcal mol?1, respectively. In addition, MP2/6-31G* and B3LYP/6-311+G** results showed that the (±)-1-TB form is about 1.10 and 2.36 kcal mol?1 more stable than the meso-1-TBCC form. Further, NBO results revealed that in the most stable form of meso configuration (meso-1-TBCC), the sum of the π* allenic antibonding orbital occupancies (Σ π *occupancy) is greater than dl configuration ((±)-1-TB). Also, NBO results indicated that in the (±)-1-TB conformer, the sum of σ and π allenic moieties bonding orbital deviations (Σ σ dev+Σ π dev) from their normal values, is lower than in the meso-1-TBCC form. 相似文献
37.
38.
Maryam Zarei 《Phosphorus, sulfur, and silicon and the related elements》2013,188(12):865-870
AbstractNovel derivatives of diethyl (4-oxo-2-phenylchroman-3-yl) methyl phosphonate have been synthesized under optimal conditions using domino-Knoevenagel-phospha-Michael reaction catalyzed by nano-zinc oxide. The combination of recovery and reusability of catalyst, simple and applicable approach, good reaction time and good yields of products make this method as a suitable route for this purpose. The structures of the products were determined by FT-IR, 1H-, 13C- and 31P- Nuclear Magnetic Resonance spectroscopies, and elemental analysis. 相似文献
39.
Marzieh Saeedi Maryam Anafcheh Reza Ghafouri Nasser L. Hadipour 《Structural chemistry》2013,24(2):681-689
Density functionla theory (DFT) calculations are performed to characterize geometric and electronic features of the octahedral Al n N n and Al n P n cages (n = 12, 16, 28, 32, and 48). Toward this aim, 15N, 27Al, and 31P chemical shielding (CS) tensors as well as natural charge analyses are calculated for the optimized structures. CS parameters detect three distinct electronic environments for atoms within the Al n N n and Al n P n cages. The chemical shifts of N2 sites belonging to a hexagon and surrounded by three hexagons and a square obtained are different from those of N3 sites belonging to a hexagon that is surrounded only by hexagons—due to different curvatures exerted at the sites with different local structures. In addition, there is an increasing tendency in the Δσ values of the three local structures, Δσ (N1) > Δσ (N2) > Δσ (N3), N1 sites belonging to four-membered rings. The chemical shieldings of those Al and P sites belonging to a hexagon that is surrounded only by hexagons in the cages (360.7–366.7 and 496.5–514.7 ppm) are close to those previously reported for AlP nanotubes. Three distinct electrostatic environments around the N, Al, and P nuclei are also confirmed by the calculated natural charges. It should be noted that the positively charged Al atoms on the cages turn out to be the available sites for adsorption of H2 molecules. 相似文献
40.
Akbar Mobinikhaledi Hassan Moghanian Maryam Deinavizadeh 《Comptes Rendus Chimie》2013,16(11):1035-1041
A simple and efficient procedure for the synthesis of 9H-xanthene or bisphenol derivatives has been developed by one-pot condensation of xylenols with aromatic aldehydes in the presence of p-toluenesulfonic acid (pTSA) as a catalyst under solvent-free conditions at 100 °C. It is noteworthy that the condensation reaction of 3,5-xylenol with aldehydes produces 9H-xanthene derivatives, while the reaction with other xylenols leads to the corresponding bisphenol derivatives. Different types of aromatic aldehydes are used in the reaction and in every case the products were obtained in good to excellent yields. The structures of these compounds were established on the basis of IR, 1H NMR, 13C NMR and CHN data. 相似文献