全文获取类型
收费全文 | 245篇 |
免费 | 7篇 |
国内免费 | 4篇 |
专业分类
化学 | 176篇 |
力学 | 12篇 |
数学 | 30篇 |
物理学 | 38篇 |
出版年
2023年 | 2篇 |
2022年 | 2篇 |
2021年 | 3篇 |
2020年 | 9篇 |
2019年 | 9篇 |
2018年 | 10篇 |
2017年 | 5篇 |
2016年 | 10篇 |
2015年 | 8篇 |
2014年 | 10篇 |
2013年 | 26篇 |
2012年 | 16篇 |
2011年 | 25篇 |
2010年 | 18篇 |
2009年 | 21篇 |
2008年 | 19篇 |
2007年 | 16篇 |
2006年 | 8篇 |
2005年 | 9篇 |
2004年 | 8篇 |
2003年 | 2篇 |
2002年 | 1篇 |
2000年 | 1篇 |
1999年 | 1篇 |
1998年 | 1篇 |
1996年 | 1篇 |
1994年 | 1篇 |
1992年 | 2篇 |
1991年 | 1篇 |
1990年 | 2篇 |
1986年 | 1篇 |
1985年 | 1篇 |
1983年 | 1篇 |
1981年 | 1篇 |
1974年 | 1篇 |
1972年 | 1篇 |
1969年 | 1篇 |
1966年 | 1篇 |
1936年 | 1篇 |
排序方式: 共有256条查询结果,搜索用时 15 毫秒
11.
N-(Thiazol-2-yl) benzamide 1 substructures are found in some of bioactive compounds. In some of protein/ligand co-crystals, the 1 moiety adopts a conformer in which the amide O and the thiazole S atoms are close. In fact, in the crystalline structure of 1 , the O—S distance is even shorter than Van der Waals radius. Although the natural bond orbital analysis finds a weak stabilizing interaction between O and S atoms, the attractive dipole–dipole interaction between the amide N─H and thiazole N atom seems to play a more significant role. Moreover, an intramolecular O—H hydrogen bonding in dimeric forms found to have an important role in the conformation preference of 1 . Computational details for the stability of conformers have been discussed using quantum theory of atoms in molecules, natural bond orbital (NBO) and noncovalent interaction index analysis. 相似文献
12.
Mohammad T. Baei Ali Varasteh Moradi Parviz Torabi Masoumeh Moghimi 《Monatshefte für Chemie / Chemical Monthly》2012,18(3):37-41
Abstract
The behavior of H2O2 adsorbed inside a [4,4] armchair boron phosphide nanotube (BPNT) was studied by using density functional calculations. Geometry optimizations were carried out at the B3LYP/6-31G* level of theory using the Gaussian 03 suite of programs. We present the nature of the H2O2 interactions inside the nanotube. The interaction between the guest species (H2O2) and the nanotube and the dipole moments of the different geometries are discussed. The results show that the binding energies and the dipole moments of the nanotube depend on the orientation and location of the H2O2 inside the tube. Among the parallel orientation (AT) and perpendicular orientations (PTA and PTP), the PTA and PTP geometries of the H2O2 are unstable whereas the AT-state geometries show stabilization of the guest species inside the BPNT. For AT orientations, the value of the dihedral angle of the H2O2 trapped inside the BPNT in the most stable conformation displays a notable change with respect to free H2O2. Also, with change of tube type, more efficient binding could not be achieved, and only the orientation and location of the H2O2 inside the tube play an important role in determining the binding energy. The polarization of the BPNT in the presence of the guest species in the PT state is higher than that of the AT state. Adsorption of H2O2 in the AT state slightly reduces the energy gap of the pristine BPNTs and slightly increases their electrical conductance. 相似文献13.
14.
NOROUZI Parviz GANJALI Mohammad Reza SHAHTAHERI Sayed Jamaleddin DINARVAND Rasoul HAMZEHPOOR Ali 《中国化学》2009,27(4):732-738
A continuous cyclic voltammetric study of methyldopa at gold micro electrode was carried out. The drug in phosphate buffer (pH 2.0) is adsorpted at 400 mV, giving rise to change in the current of well-defined oxidation peak of gold in the flow injection system. The proposed detection method has some of advantages, the greatest one of which are as follows: first, it is no more necessary to remove oxygen from the analyte solution and second, this is a very fast and appropriate technique for determination of the drug compound in a wide variety of chromatographic analysis methods. Signal-to-noise ratio has significantly increased by application of discrete Fast Fourier transform (FFT) method, background subtraction and two-dimensional integration of the electrode response over a selected potential range and time window. Also in this work some parameters such as sweep rate, eluent pH, and accumulation time and potential were optimized. The linear concentration range was of 1.0×10-7—1.0×10-11 mol•L-1 (r=0.9975) with a limit of detection and quantitation 0.004 nmol•L-1 and 0.03 nmol•L-1, respectively. The method has the requisite accuracy, sensitivity, precision and selectivity to assay methyldopa in tablets. The influences of pH of eluent, accumulation potential, sweep rate, and accumulation time on the determination of the methyldopa were considered. 相似文献
15.
Mohammad Reza Ganjali Zahra Memari Farnoush Faridbod Rassoul Dinarvand Parviz Norouzi 《Electroanalysis》2008,20(24):2663-2670
The increase use of ion sensors in the fields of environmental, agricultural, and medical analysis is stimulating analytical chemists to develop new sensors for fast, accurate, reproducible, and selective determination of various ions. In this study a new samarium membrane sensor was constructed and for the first time, it was applied as a probe in indirect determination of hyoscine, homatropine, and tramadol drugs in their pharmaceutical formulation. The proposed membrane sensor was constructed based on a membrane containing 2% sodium tetraphenyl borate (NaTPB) as an anionic additive, 63% dibutyl phthalate (DBP) as solvent mediator, 5% ionophore, and 30% poly(vinyl chloride) (PVC). The proposed Sm(III) electrode exhibits a Nernstian response of 19.35±0.2 mV per decade of samarium concentration, and has a lower detection limit of 1.0×10?7 M. The linear range of the sensors was 1.0×10?7–1.0×10?1 M. It works well in the pH range of 3.0–8.0. 相似文献
16.
17.
Norouzi Parviz Ganjali Mohammad Reza Qomi Mahnaz Nemati Kharat Ali Zamani Hassan Ali 《中国化学》2010,28(7):1133-1139
A continuous cyclic voltammetric study of letrozole at gold microelectrode was carried out. The drug in phosphate buffer (pH 2.0) is adsorbed at ?200 mV, giving rise to change in the current of well‐defined oxidation peak of gold in the flow injection system. The proposed detection method has some of advantages, the greatest of which are as follows: first, it is no more necessary to remove oxygen from the analyte solution and second, this is a very fast and appropriate technique for determination of the drug compound in a wide variety of chromatographic analysis methods. Signal‐to‐noise ratio has significantly increased by application of discrete Fast Fourier Transform (FFT) method, background subtraction and two‐dimensional integration of the electrode response over a selected potential range and time window. Also in this work some parameters such as sweep rate, eluent pH, and accumulation time and potential were optimized. The linear concentration range was of 1.0×10?7?1.0×10?10 mol/L (r=0.9975) with a limit of detection and quantitation 0.08 nmol/L and 0.15 nmol/L, respectively. The method has the requisite accuracy, sensitivity, precision and selectivity to assay letrozol in tablets. The influences of pH of eluent, accumulation potential, sweep rate, and accumulation time on the determination of the letrozol were considered. 相似文献
18.
Hosseini M Ganjali MR Tavakoli M Norouzi P Faridbod F Goldooz H Badiei A 《Journal of fluorescence》2011,21(4):1509-1513
A novel and simple fluorescence enhancement method for selective pyrophosphate(PPi) sensing was proposed based on a 1:1 metal
complex formation between bis(8-hydroxy quinoline-5-solphonat) chloride aluminum(III) (Al(QS)2Cl), (L) and PPi in aqueous solution. The linear response range covers a concentration range of 1.6 × 10−7 to 1.0 × 10−5 mol/L of PPi and the detection limit of 2.3 × 10−8 mol/L. The association constant of L-PPi complex was calculated 2.6 × 105 L/mol. L was found to show selectively and sensitively fluorescence enhancement toward PPi over than I3-, NO3-, CN−, CO32−, Br−, Cl−, F−, H2PO4− and SO42−, which was attributed to higher stability of inorganic complex between pyrophosphate and L. 相似文献
19.
20.
Dispersive liquid-liquid microextraction (DLLME) combined with spectrofluorimetry was applied to the extraction, pre-concentration and analysis of thiamine (vitamin B1). The procedure is based on (a) the oxidation of thiamine with ferricyanide to form fluorescent thiochrome (TC), (b) the trapping of TC into a microextraction solvent, and (c) spectrofluorometric determination. Microextraction solvent and disperser solvent are directly injected into an aqueous solution containing TC. After centrifuging, phase separation is performed by sedimenting the fine droplets of the microextraction solvent on the bottom of a test tube. The settled phase is transferred into a fluorometer for the determination of thiamine at excitation/emission wavelengths of 375/438 nm. Under the optimized experimental conditions, the method provides a linear dynamic range of 0.2–100 ng mL?1, a detection limit of 0.06 ng mL?1, and a relative standard deviation of 3.0%. The method was successfully applied to pharmaceutical formulations and human urine. The results were validated by recovery test and by comparison with other methods, and were found to be highly satisfactory. 相似文献