全文获取类型
收费全文 | 360篇 |
免费 | 7篇 |
专业分类
化学 | 175篇 |
晶体学 | 4篇 |
力学 | 2篇 |
数学 | 34篇 |
物理学 | 152篇 |
出版年
2022年 | 2篇 |
2021年 | 6篇 |
2020年 | 6篇 |
2019年 | 2篇 |
2016年 | 13篇 |
2015年 | 2篇 |
2014年 | 5篇 |
2013年 | 18篇 |
2012年 | 22篇 |
2011年 | 16篇 |
2010年 | 10篇 |
2009年 | 7篇 |
2008年 | 15篇 |
2007年 | 16篇 |
2006年 | 9篇 |
2005年 | 14篇 |
2004年 | 11篇 |
2003年 | 10篇 |
2002年 | 16篇 |
2001年 | 6篇 |
2000年 | 4篇 |
1999年 | 4篇 |
1998年 | 3篇 |
1996年 | 7篇 |
1995年 | 7篇 |
1994年 | 7篇 |
1993年 | 7篇 |
1992年 | 6篇 |
1991年 | 5篇 |
1990年 | 5篇 |
1989年 | 7篇 |
1988年 | 3篇 |
1987年 | 5篇 |
1986年 | 7篇 |
1985年 | 11篇 |
1984年 | 7篇 |
1983年 | 5篇 |
1982年 | 7篇 |
1981年 | 6篇 |
1980年 | 6篇 |
1979年 | 4篇 |
1978年 | 4篇 |
1977年 | 7篇 |
1976年 | 2篇 |
1974年 | 4篇 |
1973年 | 7篇 |
1966年 | 2篇 |
1958年 | 1篇 |
1898年 | 1篇 |
1887年 | 1篇 |
排序方式: 共有367条查询结果,搜索用时 15 毫秒
31.
Love JC Wolfe DB Haasch R Chabinyc ML Paul KE Whitesides GM Nuzzo RG 《Journal of the American Chemical Society》2003,125(9):2597-2609
The adsorption of n-alkanethiols onto polycrystalline thin films of palladium containing a strong (111) texture produces well-organized, self-assembled monolayers. The organization of the alkane chains in the monolayer and the nature of the bonding between the palladium and the thiol were studied by contact angle measurements, optical ellipsometry, reflection absorption infrared spectroscopy (RAIRS), and X-ray photoelectron spectroscopy (XPS). The XPS data reveals that a compound palladium-sulfide interphase is present at the surface of the palladium film. The RAIR spectra, ellipsometry data, and wetting properties show that the palladium-sulfide phase is terminated with an organized, methyl-terminated monolayer of alkanethiolates. The local molecular environment of the alkane chains transitions from a conformationally disordered, liquidlike state to a mostly all-trans, crystalline-like structure with increasing chain length (n = 8-26). The intensities and dichroism of the methylene and methyl stretching modes support a model for the average orientation of an ensemble of all-trans-conformer chains with a tilt angle of approximately 14-18 degrees with respect to the surface normal and a twist angle of the CCC plane relative to the tilt plane of approximately 45 degrees. The SAMs are stable in air, although the sulfur present at the surface oxidizes in air over a period of 2-5 days at room temperature. The differences in chain organization between SAMs formed by microcontact printing and by solution deposition are also examined by RAIRS and XPS. 相似文献
32.
33.
Eno E. Ebenso Taner Arslan Fatma Kandemi̇rlı Ian Love Cemi̇l Öğretır Murat Saracoğlu Savıour A. Umoren 《International journal of quantum chemistry》2010,110(14):2614-2636
Density functional theory (DFT) at the B3LYP/6‐31G (d,p) and BP86/CEP‐31G* basis set levels and ab initio calculations using the RHF/6‐31G (d,p) methods were performed on four sulfonamides (namely sulfaacetamide (SAM), sulfapyridine (SPY), sulfamerazine (SMR), and sulfathiazole (STI)) used as corrosion inhibitors for mild steel in acidic medium to determine the relationship between molecular structure and their inhibition efficiencies (%IE). The order of inhibition efficiency obtained was SMR > SPY > STI > SAM which corresponded with the order of most of the calculated quantum chemical parameters namely EHOMO (highest occupied molecular orbital energy), ELUMO (lowest unoccupied molecular orbital energy), the energy gap (ΔE), the Mulliken charges on the C, O, N, S atoms, hardness (η), softness (S), polarizability (α), dipole moment (μ), total energy change (ΔET), electrophilicity (ω), electron affinity (A), ionization potential (I), the absolute electronegativity (χ), and the fraction of electrons transferred (ΔN). Quantitative structure activity relationship (QSAR) approach has been used and a correlation of the composite index of some of the quantum chemical parameters was performed to characterize the inhibition performance of the sulfonamides studied. The results showed that the %IE of the sulfonamides was closely related to some of the quantum chemical parameters but with varying degrees/order. The calculated %IE of the sulfonamides studied was found to be close to their experimental corrosion inhibition efficiencies. The experimental data obtained fits the Langmuir adsorption isotherm. The negative sign of the EHOMO values and other thermodynamic parameters obtained indicates that the data obtained supports physical adsorption mechanism. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010 相似文献
34.
Ahmed Yahia Polly L. Arnold Prof. Dr. Jason B. Love Dr. Laurent Maron Prof. Dr. 《Chemistry (Weinheim an der Bergstrasse, Germany)》2010,16(16):4881-4888
A theoretical investigation of the reductive oxo‐group silylation reaction of the uranyl dication held in a Pacman macrocylic environment has been carried out. The effect of the modeling of the Pacman ligand on the reaction profiles is found to be important, with the dipotassiation of a single oxo group identified as a key component in promoting the reaction between the Si? X and uranium–oxo bonds. This reductive silylation reaction is also proposed to occur in an aqueous environment but was found not to operate on bare ions; in this latter case, substitution of a ligand in the equatorial plane was the most likely reaction. These results demonstrate the importance of the presence but not the identity of the equatorial ligands upon the silylation of the uranyl U? O bond. 相似文献
35.
We describe a technique for a phase-stepping interferometer based on programmable binary phase holograms, particularly useful for optical testing of aspheric or free-form surfaces. It is well-known that binary holograms can be used to generate reference surfaces for interferometry, but a major problem is that cross talk from higher diffraction orders and aliasing can reduce the fidelity of the system. Here, we propose a new encoding technique which improves the accuracy of the technique and demonstrate its implementation using a binary liquid crystal spatial light modulator. 相似文献
36.
37.
Every mode of a single-mode or multimode helical fibre is always leaky but, for practical purposes, can be treated as being bound with an effective cut-off wavelength. The leakage loss for each mode is quantified, showing that, for fixed core offset and source wavelength, the cut-off pitch increases with increasing mode order. The value of the cut-off pitch for each mode is in agreement with experimental measurements. 相似文献
38.
39.
Corey T. Love Wojtek Dmowski Karen E. Swider-Lyons 《Journal of solid state chemistry》2011,184(9):2412-2419
We use electrochemistry, high-energy X-ray diffraction (XRD) with pair-distribution function analysis (PDF), and density functional theory (DFT) to study the instabilities of Li2CuO2 at varying state of charge. Rietveld refinement of XRD patterns revealed phase evolution from pure Li2CuO2 body-centered orthorhombic (Immm) space group to multiphase compositions after cycling. The PDF showed CuO4 square chains with varying packing during electrochemical cycling. Peaks in the G(r) at the Cu-O distance for delithiated, LiCuO2, showed CuO4 square chains with reduced ionic radius for Cu in the 3+ state. At full depth of discharge to 1.5 V, CuO was observed in fractions greater than the initial impurity level which strongly affects the reversibility of the lithiation reactions contributing to capacity loss. DFT calculations showed electron removal from Cu and O during delithiation of Li2CuO2. 相似文献
40.
A Ni-catalyzed, chemoselective cross-coupling reaction of polyfluoroarenes under mild reaction conditions is reported. A variety of fluorine-containing biaryls are synthesized in good-to-excellent yields. A wide range of substitution patterns and functional groups are tolerated. 相似文献