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以N-乙酰-L-酪氨酸甲酯为原料,合成了6个新型的偶氮衍生物,通过IR、~1HNMR、~(13)CNMR、EI-MS和元素分析进行了表征。考察了所合成化合物的偶氮式-腙式互变异构以及溶剂和pH对紫外可见光谱的影响。结果表明,溶质-溶剂相互作用会影响化合物在不同溶剂中的λ_(max)发生微小的变化,分子内和分子间氢键的作用影响较大。溶液pH会直接影响偶氮式和腙式的平衡构成,随着pH的增加,偶氮式在偶氮式-腙式互变异构平衡中的比例逐渐降低。这些偶氮化合物有望成为一类潜在的pH指示剂。 相似文献
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Y.H. Ebead 《Dyes and Pigments》2012,92(1):705-713
The prototropic tautomerism in four novel azo compounds derived from pyrazolo[1,5-a]pyrimidin-7(4H)-one was intensively examined. Tautomeric structures which result from annular and azo-hydrazone tautomerism were exposed to semiempirical and density functional theory (DFT) calculations, allowing the recording of structural parameters, physicochemical properties and equilibrium constants to be recorded. The values of the equilibrium constants determined among the most stable forms clearly showed that compounds 1 and 2 co-exist in the NH and hydrazone forms. However, NH tautomers were strongly preferred to other forms in compounds 3 and 4. The observed electronic absorption bands were assigned and compared with the predicted transitions using a time-dependent DFT method (TDDFT). In all solvents employed, except for DMF and acetonitrile, compounds 1 and 2 exhibited azo-hydrazone tautomerism. However, the ionized species were predominant in highly polar solvents for compounds 3 and 4. In DMF, all the investigated dyes exist either in acid-base equilibrium or in the ionized form depending on the molecular structure. Hence, the values of the ionization constant (Kion) and Gibbs free energy (ΔG) of the equilibrium existing in solution were calculated. In addition, the pKa values of the investigated dyes were determined spectrophotometrically. 相似文献
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Maria Eugenia Castro Maria Judith Percino Victor M. Chapela Margarita Ceron Guillermo Soriano-Moro Jorge Lopez-Cruz Francisco J. Melendez 《International journal of molecular sciences》2013,14(2):4005-4029
A combined theoretical and experimental study on the structure, infrared, UV-Vis and 1H NMR data of trans-2-(m-cyanostyryl)pyridine, trans-2-[3-methyl-(m-cyanostyryl)] pyridine and trans-4-(m-cyanostyryl)pyridine is presented. The synthesis was carried out with an efficient Knoevenagel condensation using green chemistry conditions. Theoretical geometry optimizations and their IR spectra were carried out using the Density Functional Theory (DFT) in both gas and solution phases. For theoretical UV-Vis and 1H NMR spectra, the Time-Dependent DFT (TD-DFT) and the Gauge-Including Atomic Orbital (GIAO) methods were used, respectively. The theoretical characterization matched the experimental measurements, showing a good correlation. The effect of cyano- and methyl-substituents, as well as of the N-atom position in the pyridine ring on the UV-Vis, IR and NMR spectra, was evaluated. The UV-Vis results showed no significant effect due to electron-withdrawing cyano- and electron-donating methyl-substituents. The N-atom position, however, caused a slight change in the maximum absorption wavelengths. The IR normal modes were assigned for the cyano- and methyl-groups. 1H NMR spectra showed the typical doublet signals due to protons in the trans position of a double bond. The theoretical characterization was visibly useful to assign accurately the signals in IR and 1H NMR spectra, as well as to identify the most probable conformation that could be present in the formation of the styrylpyridine-like compounds. 相似文献
177.
采用氨基丙基三乙氧基硅烷偶联剂处理涤纶蚊帐,然后将处理后的蚊帐浸泡在添加溴氰菊酯悬浮液的聚氨酯胶粘剂乳液中,室温固化得到表面含有溴氰菊酯的蚊帐,该蚊帐具有驱蚊效果。利用紫外可见吸收光谱可以非常简便地测定蚊帐中溴氰菊酯含量。 相似文献
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A. Jagannatha ReddyM.K. Kokila H. Nagabhushana R.P.S. Chakradhar C. ShivakumaraJ.L. Rao B.M. Nagabhushana 《Journal of Alloys and Compounds》2011,509(17):5349-5355
Cu (0.1 mol%) doped ZnO nanopowders have been successfully synthesized by a wet chemical method at a relatively low temperature (300 °C). Powder X-ray diffraction (PXRD) analysis, scanning electron microscopy (SEM), Transmission electron microscopy (TEM), Fourier transformed infrared (FTIR) spectroscopy, UV-Visible spectroscopy, Photoluminescence (PL) and Electron Paramagnetic Resonance (EPR) measurements were used for characterization. PXRD results confirm that the nanopowders exhibit hexagonal wurtzite structure of ZnO without any secondary phase. The particle size of as-formed product has been calculated by Williamson-Hall (W-H) plots and Scherrer's formula is found to be in the range of ∼40 nm. TEM image confirms the nano size crystalline nature of Cu doped ZnO. SEM micrographs of undoped and Cu doped ZnO show highly porous with large voids. UV-Vis spectrum showed a red shift in the absorption edge in Cu doped ZnO. PL spectra show prominent peaks corresponding to near band edge UV emission and defect related green emission in the visible region at room temperature and their possible mechanisms have been discussed. The EPR spectrum exhibits a broad resonance signal at g ∼ 2.049, and two narrow resonances one at g ∼ 1.990 and other at g ∼ 1.950. The broad resonance signal at g ∼ 2.049 is a characteristic of Cu2+ ion whereas the signal at g ∼ 1.990 and g ∼ 1.950 can be attributed to ionized oxygen vacancies and shallow donors respectively. The spin concentration (N) and paramagnetic susceptibility (χ) have been evaluated and discussed. 相似文献
180.
合成了一种新型三足席夫碱和它的四种稀土配合物,通过元素分析、红外光谱、紫外光谱、差热-热重、核磁共振和摩尔电导率对配合物进行了表征,推测了配合物的可能结构。应用紫外可见光谱法和电化学方法对配合物与ct-DNA之间的相互作用进行了研究,结果表明,配合物与ct-DNA之间存在插入作用;配合物CV测试随扫描速度增加,其氧化峰电位Ep发生正移,氧化峰电流Ip随扫描速度的增加呈线性增加趋势,并且Ip与扫描速率平方根(v1/2)呈良好线性关系,表明配合物在GCE上的电化学氧化反应是一个受扩散步骤所控制的过程。 相似文献