首页 | 本学科首页   官方微博 | 高级检索  
文章检索
  按 检索   检索词:      
出版年份:   被引次数:   他引次数: 提示:输入*表示无穷大
  收费全文   3500篇
  免费   181篇
  国内免费   4篇
电工技术   60篇
综合类   4篇
化学工业   954篇
金属工艺   39篇
机械仪表   70篇
建筑科学   141篇
矿业工程   2篇
能源动力   90篇
轻工业   375篇
水利工程   21篇
石油天然气   10篇
无线电   254篇
一般工业技术   680篇
冶金工业   341篇
原子能技术   22篇
自动化技术   622篇
  2024年   5篇
  2023年   27篇
  2022年   85篇
  2021年   129篇
  2020年   63篇
  2019年   88篇
  2018年   99篇
  2017年   96篇
  2016年   102篇
  2015年   115篇
  2014年   130篇
  2013年   205篇
  2012年   207篇
  2011年   293篇
  2010年   202篇
  2009年   181篇
  2008年   190篇
  2007年   170篇
  2006年   172篇
  2005年   133篇
  2004年   129篇
  2003年   90篇
  2002年   100篇
  2001年   70篇
  2000年   44篇
  1999年   63篇
  1998年   92篇
  1997年   61篇
  1996年   47篇
  1995年   42篇
  1994年   26篇
  1993年   25篇
  1992年   20篇
  1991年   17篇
  1990年   19篇
  1989年   18篇
  1988年   9篇
  1987年   11篇
  1986年   9篇
  1985年   6篇
  1984年   8篇
  1982年   10篇
  1981年   7篇
  1980年   7篇
  1978年   6篇
  1977年   5篇
  1976年   10篇
  1975年   10篇
  1970年   3篇
  1968年   3篇
排序方式: 共有3685条查询结果,搜索用时 31 毫秒
1.
Chameleonic properties, i. e., the capacity of a molecule to hide polarity in non-polar environments and expose it in water, help achieving sufficient permeability and solubility for drug molecules with high MW. We present models of experimental measures of polarity for a set of 24 FDA approved drugs (MW 405-1113) and one PROTAC (MW 1034). Conformational ensembles in aqueous and non-polar environments were generated using molecular dynamics. A linear regression model that predicts chromatographic apparent polarity (EPSA) with a mean unsigned error of 10 Å2 was derived based on separate terms for donor, acceptor, and total molecular SASA. A good correlation (R2=0.92) with an experimental measure of hydrogen bond donor potential, Δlog Poct-tol, was found for the mean hydrogen bond donor SASA of the conformational ensemble scaled with Abraham's A hydrogen bond acidity. Two quantitative measures of chameleonic behaviour, the chameleonic efficiency indices, are introduced. We envision that the methods presented herein will be useful to triage designed molecules and prioritize those with the best chance of achieving acceptable permeability and solubility.  相似文献   
2.
The SAFT-γ Mie group-contribution equation of state is used to represent the fluid-phase behavior of aqueous solutions of a variety of linear, branched, and cyclic amines. New group interactions are developed in order to model the mixtures of interest, including the like and unlike interactions between alkyl primary, secondary, and tertiary amine groups (NH2, NH, N), cyclic secondary and tertiary amine groups (cNH, cN), and cyclic methine-amine groups (cCHNH, cCHN) with water (H2O). The group-interaction parameters are estimated from appropriate experimental thermodynamic data for pure amines and selected mixtures. By taking advantage of the group-contribution nature of the method, one can describe the fluid-phase behavior of mixtures of molecules comprising those groups over broad ranges of temperature, pressure, and composition. A number of aqueous solutions of amines are studied including linear, branched aliphatic, and cyclic amines. Liquid–liquid equilibria (LLE) bounded by lower critical solution temperatures (LCSTs) have been reported experimentally and are reproduced here with the SAFT-γ Mie approach. The main feature of the approach is the ability not only to represent accurately the experimental data employed in the parameter estimation, but also to predict the vapor–liquid, liquid–liquid, and vapor–liquid–liquid equilibria, and LCSTs with the same set of parameters. Pure compound and binary phase diagrams of diverse types of amines and their aqueous solutions are assessed in order to demonstrate the main features of the thermodynamic and fluid-phase behavior.  相似文献   
3.
A first‐principles‐based effective Hamiltonian is developed and employed to investigate finite‐temperature structural properties of a prototype of perovskite halides, that is CsPbI3. Such simulations, when using first‐principles‐extracted coefficients, successfully reproduce the existence of an orthorhombic Pnma state and its iodine octahedral tilting angles around room temperature. However, they also yield a direct transformation from Pnma to cubic P m 3 ¯ m upon heating, unlike measurements that reported the occurrence of an intermediate long‐range‐tilted tetragonal P4/mbm phase in‐between the orthorhombic and cubic phases. Such disagreement, which may cast some doubts about the extent to which first‐principle methods can be trusted to mimic hybrid perovskites, can be resolved by “only” changing one short‐range tilting parameter in the whole set of effective Hamiltonian coefficients. In such a case, some reasonable values of this specific parameter result in the predictions that i) the intermediate P4/mbm state originates from fluctuations over many different tilted states; and ii) the cubic P m 3 ¯ m phase is highly locally distorted and develops strong transverse antiphase correlation between first‐nearest neighbor iodine octahedral tiltings, before undergoing a phase transition to P4/mbm under cooling.  相似文献   
4.
5.
This work demonstrates the efficiency of almond gum polysaccharides (AGPs) as bioactive compounds. AGPs were first extracted using H2O2, in the presence of NaOH, at different times and temperatures. The optimal extraction conditions were 4% H2O2 and 2 N NaOH, for 7 h at 50 °C, leading to an extraction yield of 58.2% (w/w). After a purification step, the retained AGPs were characterised using high‐performance liquid chromatography showing a molecular weight of 99.3 kDa. The monosaccharide composition of AGPs were assessed using gas chromatography–mass spectrometry. AGPs were found to be a complex heteropolysaccharide with a repeating unit mainly composed of galactose, arabinose, xylose, mannose, rhamnose, and glucuronic acid with the respective ratios: 45:26:7:10:1:11. The acidic nature of the polysaccharide is due to the presence of glucuronic acid. Total antioxidant activity, free radical‐scavenging activity and reducing power assay of AGPs were investigated. The obtained results showed high antioxidant activities of AGPs. Furthermore, beyond 60 mg mL?1, AGPs exhibited bacterial growth inhibition for five pathogenic strains: Escherichia coli, Staphylococcus aureus, Enterococcus feacalis, Pseudomonas aeruginosa and Salmonella typhimurium.  相似文献   
6.
7.
8.
BACKGROUND: Simultaneous removal of sulfur, nitrogen and carbon compounds from wastewaters is a commercially important biological process. The objective was to evaluate the influence of the CH3COO?/NO3? molar ratio on the sulfide oxidation process using an inverse fluidized bed reactor (IFBR). RESULTS: Three molar ratios of CH3COO?/NO3? (0.85, 0.72 and 0.62) with a constant S2?/NO3? molar ratio of 0.13 were evaluated. At a CH3COO?/NO3? molar ratio of 0.85, the nitrate, acetate and sulfide removal efficiencies were approximately 100%. The N2 yield (g N2 g?1 NO3?‐N consumed) was 0.81. Acetate was mineralized, resulting in a yield of 0.65 g inorganic‐C g?1 CH3COO?‐C consumed. Sulfide was partially oxidized to S0, and 71% of the S2? consumed was recovered as elemental sulfur by a settler installed in the IFBR. At a CH3COO?/NO3? molar ratio of 0.72, the efficiencies of nitrate, acetate and sulfide consumption were of 100%, with N2 and inorganic‐C yields of 0.84 and 0.69, respectively. The sulfide was recovered as sulfate instead of S0, with a yield of 0.92 g SO42?‐S g?1 S2? consumed. CONCLUSIONS: The CH3COO?/NO3? molar ratio was shown to be an important parameter that can be used to control the fate of sulfide oxidation to either S0 or sulfate. In this study, the potential of denitrification for the simultaneous removal of organic matter, sulfide and nitrate from wastewaters was demonstrated, obtaining CO2, S0 and N2 as the major end products. Copyright © 2008 Society of Chemical Industry  相似文献   
9.
10.
Two proprietary biocides were compounded and extruded at three concentrations, respectively, into high density polyethylene-maple wood flour lumber (HDPE-MWL) and evaluated for their efficacy to control fungal colonization and discoloration using the ASTM Standard G 21-96. Although the silver biocide used in this study did not control fungal colonization and discoloration of HDPE-MWL, statistically significant difference was observed between the highest silver biocide concentration and those of the two lower silver biocide concentrations. The latter exhibited no significant difference with the controls. In contrast, the three levels of zinc biocides showed significant difference from each other with respect to their efficacy against fungal colonization and discoloration of HDPE-MWL. Overall, only the zinc biocide was efficacious against fungal colonization and discoloration. The biocide containing zinc as an active biocidal agent was most efficacious at 1% (by weight) concentration.  相似文献   
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号