全文获取类型
收费全文 | 2514篇 |
免费 | 292篇 |
国内免费 | 511篇 |
专业分类
化学 | 2121篇 |
晶体学 | 25篇 |
力学 | 84篇 |
综合类 | 42篇 |
数学 | 384篇 |
物理学 | 661篇 |
出版年
2024年 | 8篇 |
2023年 | 23篇 |
2022年 | 48篇 |
2021年 | 70篇 |
2020年 | 66篇 |
2019年 | 100篇 |
2018年 | 56篇 |
2017年 | 81篇 |
2016年 | 97篇 |
2015年 | 101篇 |
2014年 | 108篇 |
2013年 | 182篇 |
2012年 | 162篇 |
2011年 | 168篇 |
2010年 | 142篇 |
2009年 | 138篇 |
2008年 | 158篇 |
2007年 | 145篇 |
2006年 | 127篇 |
2005年 | 128篇 |
2004年 | 133篇 |
2003年 | 160篇 |
2002年 | 196篇 |
2001年 | 161篇 |
2000年 | 91篇 |
1999年 | 75篇 |
1998年 | 43篇 |
1997年 | 39篇 |
1996年 | 41篇 |
1995年 | 40篇 |
1994年 | 26篇 |
1993年 | 25篇 |
1992年 | 39篇 |
1991年 | 27篇 |
1990年 | 19篇 |
1989年 | 19篇 |
1988年 | 30篇 |
1987年 | 6篇 |
1986年 | 13篇 |
1985年 | 8篇 |
1984年 | 6篇 |
1983年 | 3篇 |
1982年 | 4篇 |
1981年 | 1篇 |
1980年 | 1篇 |
1979年 | 2篇 |
1957年 | 1篇 |
排序方式: 共有3317条查询结果,搜索用时 15 毫秒
41.
提出了一种动力学李代数方法来研究取代苯体系的非线性光学性质. 对于给定的PPP模型(Pariser-Parr-Pople)哈密顿量, 生成了一个动力学李代数. 依据这些代数元构造出演化算子作为群参数的函数, 通过求解一组非线性微分方程能够得到这些群参数. 再按照统计力学中的密度算子公式给出取代苯分子体系偶极矩的统计平均值. 于是导出二阶极化率的表达式. 与其他量子力学计算结果比较, 表明这种动力学李代数方法在预言有机共轭分子的非线性光学性质上同样有用. 相似文献
42.
Xian Zhao Daren Guan Xizhang Yi Guibao Xu Minhua Jiang 《International journal of quantum chemistry》2003,93(5):335-343
A dynamic Lie algebraic (DLA) formulation is applied to the study of nonlinear optical properties of the substituted benzenes. We have described the generation of the dynamic Lie algebra for the model Hamiltonian used in the present study. In terms of these elements of the dynamic algebra we express the evolution operator as a function of the group parameters, which can be determined by means of solving a system of coupled nonlinear differential equations. Thus, in terms of the density matrix operator formalism in statistical mechanics we obtain the statistical averages of the electric polarization and then derive readily an expression for the hyperpolarizability of the paradisubstituted benzenes. Comparisons with experimental observations and other quantum calculations of the hyperpolarizabilities for the paradisubstituted benzenes are made qualitatively and quantitatively. These results imply that the DLA method appears useful in describing the nonlinear optical phenomena in the substituted benzene molecules. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem 93: 335–343, 2003 相似文献
43.
beta-Phenylseleno-alpha-tolylsulfonyl-substituted alkenes were synthesized via the three-component conjugate-nucleophilic addition of acetylenic sulfones, phenylselenomagnesium bromide, and carbonyl compounds, such as aldehydes, aliphatic ketones, or alpha,beta-unsaturated enals or enones. The reaction is highly regio- and stereoselective with moderate to good yields. Functionalized allylic alcohols were obtained in the case of aldehydes and aliphatic ketones. In the case of alpha,beta-unsaturated enones, functionalized allylic alcohols or functionalized gamma,delta-unsaturated ketones were obtained, depending on the structures of the ketones. 相似文献
44.
45.
Non-negative matrix factorization (NMF), with the constraints of non-negativity, has been recently proposed for multi-variate data analysis. Because it allows only additive, not subtractive, combinations of the original data, NMF is capable of producing region or parts-based representation of objects. It has been used for image analysis and text processing. Unlike PCA, the resolutions of NMF are non-negative and can be easily interpreted and understood directly. Due to multiple solutions, the original algorithm of NMF [D.D. Lee, H.S. Seung, Nature 401 (1999) 788] is not suitable for resolving chemical mixed signals. In reality, NMF has never been applied to resolving chemical mixed signals. It must be modified according to the characteristics of the chemical signals, such as smoothness of spectra, unimodality of chromatograms, sparseness of mass spectra, etc. We have used the modified NMF algorithm to narrow the feasible solution region for resolving chemical signals, and found that it could produce reasonable and acceptable results for certain experimental errors, especially for overlapping chromatograms and sparse mass spectra. Simulated two-dimensional (2-D) data and real GUJINGGONG alcohol liquor GC-MS data have been resolved soundly by NMF technique. Butyl caproate and its isomeric compound (butyric acid, hexyl ester) have been identified from the overlapping spectra. The result of NMF is preferable to that of Heuristic evolving latent projections (HELP). It shows that NMF is a promising chemometric resolution method for complex samples. 相似文献
46.
Feng Xian Liu-Cai Charlotte Pham Farida Bey Gilbert Hervé 《Reaction Kinetics and Catalysis Letters》2002,75(2):305-314
Effects of Cs+, H+ and Cu2+ counterions in the vanadium containing heteropoly compounds CsxH1-xVO[PMo12O40] and CsyH0.5-yCu0.25VO[PMo12O40] on the catalytic oxidation of isobutane and characterization by TGA, IR and ESR spectroscopies are reported. A high selectivity of 76% for methacrylic acid and methacrolein together has been obtained with Cs0.75H0.25VO[PMo12O40] catalysts at a reactivity of 5.3x10-1 mmol/h cm3. 相似文献
47.
脂肪族酰胺二元醇的合成与表征 总被引:3,自引:1,他引:3
以DL-乳酸、ε己内酯及乙二胺和己二胺为原料合成了四种结构的脂肪族酰胺二元醇,并用IR,^1HNMR,DSC对酰胺二元醇的结构进行了表征。 相似文献
48.
[reaction: see text] It is observed that the iodohydroxylation of 1,2-allenyl sulfides with I(2) and water in aqueous acetone showed Z-selectivity, which is opposite to that of the iodohydroxylation of 1,2-allenyl sulfoxides. 相似文献
49.
Three new serratane triterpenoids, (3α,14α,15α,21α)‐3,14,15,21,29‐pentahydroxyserratan‐24‐oic acid ( 1 ), (3α,21β)‐serrat‐14‐ene‐3,21,24,30‐tetraol ( 2 ), and (3α,21α)‐serrat‐14‐ene‐3,21,24,29‐tetraol ( 3 ), were isolated from Phlegmariurus squarrosus, together with eight known compounds. Their chemical structures were elucidated on the basis of in‐depth spectroscopic analyses. 相似文献
50.
生物检材中乌头类生物碱的检验 总被引:2,自引:1,他引:2
用薄层 (TLC)、高效液相 光电二极管阵列检测器 (HPLC/DAD)、动物实验等方法对生物检材中乌头生物碱进行检验 ,并对这些方法进行比较。结果发现 ,TLC法为此类药物检验筛选的首选方法 ,最小检出量为 0 3μg。在进行HPLC检测时 ,以乌头生物碱的特征紫外吸收光谱和动物实验结果为重要的定性手段 ,其特征吸收波长为 (2 2 8± 2 )nm和 (2 75± 2 )nm。乌头生物碱在 2mg/L~ 5 0mg/L时其峰面积与质量浓度有很好的线性 ,相关系数为 0 9996。经实际案件证明 ,方法准确、灵敏 ,可用于生物检材中乌头类生物碱的检验。 相似文献