全文获取类型
收费全文 | 8545篇 |
免费 | 1393篇 |
国内免费 | 1261篇 |
专业分类
化学 | 6607篇 |
晶体学 | 143篇 |
力学 | 467篇 |
综合类 | 77篇 |
数学 | 878篇 |
物理学 | 3027篇 |
出版年
2024年 | 28篇 |
2023年 | 190篇 |
2022年 | 257篇 |
2021年 | 351篇 |
2020年 | 444篇 |
2019年 | 449篇 |
2018年 | 325篇 |
2017年 | 361篇 |
2016年 | 425篇 |
2015年 | 445篇 |
2014年 | 515篇 |
2013年 | 685篇 |
2012年 | 744篇 |
2011年 | 814篇 |
2010年 | 575篇 |
2009年 | 500篇 |
2008年 | 588篇 |
2007年 | 470篇 |
2006年 | 420篇 |
2005年 | 356篇 |
2004年 | 267篇 |
2003年 | 235篇 |
2002年 | 270篇 |
2001年 | 189篇 |
2000年 | 169篇 |
1999年 | 137篇 |
1998年 | 107篇 |
1997年 | 105篇 |
1996年 | 105篇 |
1995年 | 106篇 |
1994年 | 99篇 |
1993年 | 83篇 |
1992年 | 58篇 |
1991年 | 51篇 |
1990年 | 45篇 |
1989年 | 51篇 |
1988年 | 30篇 |
1987年 | 24篇 |
1986年 | 26篇 |
1985年 | 37篇 |
1984年 | 19篇 |
1983年 | 14篇 |
1982年 | 8篇 |
1981年 | 9篇 |
1980年 | 4篇 |
1979年 | 2篇 |
1977年 | 2篇 |
1959年 | 2篇 |
1957年 | 3篇 |
排序方式: 共有10000条查询结果,搜索用时 15 毫秒
101.
氧氟沙星片剂和滴眼液中氧氟沙星对映体的毛细管电泳拆分及定量分析 总被引:1,自引:0,他引:1
采用环糊精及其衍生物为手性选择剂在CE上对氧氟沙星对映体进行了分离,研究了环糊精种类、浓度、分离电压、温度对分离的影响.重点考察了氧氟沙星的定量线性范围、检测限和重现性,在20-200mg/L浓度范围内,迁移时间重现性的相对标准偏差(RSD)控制在1.13%以内,峰面积重现性的RSD控制在4.3%以内,检测限为1mg/L.结果表明用20mmo1/L二甲基-β-环糊精(DM-β-CD)为手性选择剂,背景电解质为50mmo1/L Na2HPO4,pH=3.0,不加有机添加剂情况下可得到较好的分离效果.同时,对氧氟沙星药品实样进行了分析,建主了一种市售氧氟沙星片剂和滴眼液中氧氟沙星对映体简单、快速的毛细管电泳分离、定量分析方法. 相似文献
102.
(1)测定了醋酸十二烷基铵(DAA)在CAB-O-SIL上的吸附,其等温线属双平台或LS型[1-3,5];(2)NaCl的存在使DAA的吸附增加.但不影响其低浓度下第一平台的吸附量;HCl的存在则在全浓度范围内抑制了DAA的吸附,(3)测定了CAB-O-SIL颗粒在上述各溶液中的悬浮液的稳定性;(4)根据表面形成小胶团的吸附理论(即二步模型产)[2,3,5,],并借助电导跟踪溶液中发生的变化,满意地解释了吸附和聚沉的实验结果. 相似文献
103.
本文利用付立叶红外光谱(FTIR),热解气相色谱(Py-GC)及热解气相色谱质谱(Py-GC-MS)联用技术等分析手段,探讨了我国山西繁峙煤镜质组的生烃特征,鉴定了如气体烃、正构脂肪烃、苯酚、单环芳烃以及甲氧基酚类等热解产物67种化合物。用相继等温热解法一级反应动力学模型,求取了热解产物如气体组分(C1 ̄C6)、轻烃(C7 ̄C14)、重烃(C15 ̄C30)、正构脂肪烃(nCi)、烷基芳烃、苯酚等的 相似文献
104.
Investigation of Tomato Plant Defence Response to Tobacco Mosaic Virus by Determination of Methyl Salicylate with SPME-Capillary GC-MS 总被引:2,自引:0,他引:2
Headspace SPME was applied to investigation of tomato plant defence response to tobacco mosaic virus (TMV) by determination of compounds emitted from tomato plants at the extraction conditions of 25 °C and 15 min. It was found that TMV-inoculated tomato plant released large amount of methyl salicylate (MeSA) as response to TMV and MeSA concentration changed dramatically with time after inoculation. Gaseous MeSA as a signaling compound could induce in surrounding tomato plants to produce salicylic acid (SA) and synthesize and release MeSA. These results show that MeSA might be an airborne plant-signalling molecule in tomato plant response to TMV. The present method provided low detection limit of 2.0 ng L–1 and needed little sample preparation time (15 min), so the method makes it easy to find the critical times of tomato plant response to TMV by fast determination of MeSA released from tomato plant. 相似文献
105.
Qian Yanlong Li Guisheng Chen Weichun Li Bihua Jin Xianglin 《Transition Metal Chemistry》1990,15(6):478-482
Summary A new class of differentially ring-substituted titanocene dichlorides of the type CpCpTiCl2 has been prepared by reacting CpM (M=Li, K; Cp=RC5H4) with CpTiCl3 (Cp=MeOCH2CH2C5H4). The crystal structure of Cp(PhCEt2C5H4)TiCl2, the first example, has been determined by x-ray diffraction and refined to a final R factor of 0.0532 for 2304 reflections. The crystal belongs to the monoclinic space group C
2h
5
–P21/c with unit cell parameters:a 10.205(6),b 13.003(5),c 17.591(9) Å, 101.91(4)°, V=2284 Å3, Z=4 and Dc=1.32 g/cm–3. Replacement of one neomenthyl in bis(neomenthyl-cyclopentadienyl)titanium dichloride by one MeOCH2CH2 — raises the e.e. value from 5.8% to 11.2% in the catalytic asymmetric hydrogenation of 2-phenyl-1-butene. 相似文献
106.
107.
We derive exact properties of the inhomogeneous electron gas in the asymptotic classically forbidden region at a metal–vacuum interface within the framework of local effective potential energy theory. We derive a new expression for the asymptotic structure of the Kohn–Sham density functional theory (KS‐DFT) exchange‐correlation potential energy vxc(r) in terms of the irreducible electron self‐energy. We also derive the exact asymptotic structure of the orbitals, density, the Dirac density matrix, the kinetic energy density, and KS exchange energy density. We further obtain the exact expression for the Fermi hole and demonstrate its structure in this asymptotic limit. The exchange‐correlation potential energy is derived to be vxc(z → ∞) = ?αKS,xc/z, and its exchange and correlation components to be vx(z → ∞) = ?αKS,x/z and vc(z → ∞) = ?αKS,c/z, respectively. The analytical expressions for the coefficients αKS,xc and αKS,x show them to be dependent on the bulk‐metal Wigner–Seitz radius and the barrier height at the surface. The coefficient αKS,c = 1/4 is determined in the plasmon‐pole approximation and is independent of these metal parameters. Thus, the asymptotic structure of vxc(z) in the vacuum region is image‐potential‐like but not the commonly accepted one of ?1/4z. Furthermore, this structure depends on the properties of the metal. Additionally, an analysis of these results via quantal density functional theory (Q‐DFT) shows that both the Pauli Wx(z → ∞) and lowest‐order correlation‐kinetic W(z → ∞) components of the exchange potential energy vx(z → ∞), and the Coulomb Wc(z → ∞) and higher‐order correlation‐kinetic components of the correlation potential energy vc(z → ∞), all contribute terms of O(1/z) to the structure. Hence correlations attributable to the Pauli exclusion principle, Coulomb repulsion, and correlation‐kinetic effects all contribute to the asymptotic structure of the effective potential energy at a metal surface. The relevance of the results derived to the theory of image states and to KS‐DFT is also discussed. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005 相似文献
108.
磺酰脲类除草剂的三维药效团模型 总被引:3,自引:0,他引:3
磺酰脲类除草剂是七十年代末期[1,2]开发的一类超高效除草剂,杀草谱广,用量极低.它通过抑制植物体内乙酰乳酸合成酶(ALS,acetolactatesynthase)的活性[3],破坏支链氨基酸缬氨酸、亮氨酸和异亮氨酸的合成,造成杂草的死亡.本文从三维角度出发,利用先进的三维分子设计软件APEX(ActivityPredictionExpertSystem)-3D[4],建立破酸豚类除草剂药效团模型(biophoremodel),辅助设计、筛选活性化合物;再由药效团构造出模拟ALS酶活性位点(activesites)的空间结构,以该模拟结构为基点,以期设计出全新结构的ALS酶抑制剂的… 相似文献
109.
A three-dimensional pharmacophore model was developed from a series of inhibitors of Aurora A kinase to discover new potent anti-cancer agents using the HypoGen module in the Catalyst software. The pharmacophore model was developed based on the structure of 20 currently available inhibitors, which were carefully selected from the literature. The best hypothesis (Hypo 1) was defined by four features: one hydrogen-bond donor and three hy- drophobic points, with the best correlation coefficient of 0.909, the lowest rms deviation of 1.563, and the highest cost difference of 99.075. The Hypo 1 was then validated by a test set consisting of 24 compounds and by a cross-validation of 95% confidence level through randomizing the data using the CatScramble program, which suggested that a predictive pharmacophore model had been successfully obtained. 相似文献
110.
研究了波长、温度及表面处理对n-InP光脉冲暂态行为的影响。结果表明,波长对时间常数无影响;随着温度升高,峰值下降,衰减变快。讨论了表面处理的影响,并对实验结果作了必要的解释。 相似文献