全文获取类型
收费全文 | 340篇 |
免费 | 18篇 |
国内免费 | 16篇 |
专业分类
化学 | 218篇 |
晶体学 | 2篇 |
力学 | 13篇 |
数学 | 67篇 |
物理学 | 74篇 |
出版年
2023年 | 3篇 |
2022年 | 4篇 |
2021年 | 17篇 |
2020年 | 14篇 |
2019年 | 18篇 |
2018年 | 11篇 |
2017年 | 16篇 |
2016年 | 35篇 |
2015年 | 18篇 |
2014年 | 32篇 |
2013年 | 39篇 |
2012年 | 32篇 |
2011年 | 19篇 |
2010年 | 15篇 |
2009年 | 15篇 |
2008年 | 14篇 |
2007年 | 14篇 |
2006年 | 5篇 |
2005年 | 6篇 |
2004年 | 6篇 |
2003年 | 3篇 |
2002年 | 4篇 |
2001年 | 2篇 |
2000年 | 6篇 |
1995年 | 2篇 |
1993年 | 1篇 |
1992年 | 1篇 |
1991年 | 1篇 |
1990年 | 2篇 |
1985年 | 3篇 |
1984年 | 1篇 |
1982年 | 3篇 |
1981年 | 1篇 |
1980年 | 2篇 |
1979年 | 5篇 |
1978年 | 1篇 |
1977年 | 1篇 |
1976年 | 2篇 |
排序方式: 共有374条查询结果,搜索用时 15 毫秒
71.
The effect of anharmonicity in the intramolecular modes of a model system for exothermic intramolecular nonadiabatic electron transfer is probed by examining the dependence of the transition probability on the exoergicity. The Franck-Condon factor for the Morse potential is written in terms of the Gauss hypergeometric function both for a ground initial state and for the general case, and comparisons are made between the first-order perturbation theory results for transition probability for harmonic and Morse oscillators. These results are verified with quantum dynamical simulations using wave-packet propagations on a numerical grid. The transition-probability expression incorporating a high-frequency quantum mode and low-frequency medium mode is compared for Morse and harmonic oscillators in different temperature ranges and with various coarse-graining treatments of the delta function from the Fermi golden rule expression. We find that significant deviations from the harmonic approximation are expected for even moderately anharmonic quantum modes at large values of exoergicity. The addition of a second quantum mode of opposite displacement negates the anharmonic effect at small energy change, but in the inverted regime a significantly flatter dependence on exoergicity is predicted for anharmonic modes. 相似文献
72.
Sina Khorasani 《理论物理通讯》2018,70(3):344-360
We present a detailed calculation of the linear and nonlinear optical response of four types of monolayer twodimensional (2D) transition-metal dichalcogenides (TMDCs), having the formula MX2 with M=Mo, W and X=S, Se. The calculations are based on 6-band tight-binding model of TMDCs, and then performing a semi-classical perturbation analysis of response functions. We numerically calculate the linear χμν(1) (-ω;ω) and nonlinear surface susceptibility tensors χμνζη(3)(-ωΣ; ωr; ωs; ωt) with ωΣ=ωr+ωs+ωt. Both non-degenerate and degenerate cases are studied for thirdharmonic generation and nonlinear refractive index, respectively. Computational results obtained with no external fitting parameters are discussed regarding two recent reported experiments on MoS2, and thus we can confirm the extraordinarily strong optical nonlinearity of TMDCs. As a possible application, we demonstrate generation of a π/4-rotated squeezed state by means of nonlinear response of TMDCs, in a silica micro-disk resonator covered with the 2D material. Our proposed method will enable accurate calculations of nonlinear optical response, such as four-wave mixing and highharmonic generation in 2D materials and their heterostructures, thus enabling study of novel functionalities of 2D photonic integrated circuits. 相似文献
73.
The purpose of this paper is to calculate the longitudinal structure function of proton through the well-known equation F L =F 2?2xF 1. To determine this structure function, we need to identify parton distribution functions to find F 2. In this case, the valon model and DGLAP equations are utilized to obtain the parton distributions. Our calculations are carried out in two approximations LO and NLO. The results at the NLO approximation are in better agreement with the experimental data. 相似文献
74.
Sina Molavipour Hamid Ghourchian Germn Bassi Mikael Skoglund 《Entropy (Basel, Switzerland)》2021,23(6)
Novel approaches to estimate information measures using neural networks are well-celebrated in recent years both in the information theory and machine learning communities. These neural-based estimators are shown to converge to the true values when estimating mutual information and conditional mutual information using independent samples. However, if the samples in the dataset are not independent, the consistency of these estimators requires further investigation. This is of particular interest for a more complex measure such as the directed information, which is pivotal in characterizing causality and is meaningful over time-dependent variables. The extension of the convergence proof for such cases is not trivial and demands further assumptions on the data. In this paper, we show that our neural estimator for conditional mutual information is consistent when the dataset is generated with samples of a stationary and ergodic source. In other words, we show that our information estimator using neural networks converges asymptotically to the true value with probability one. Besides universal functional approximation of neural networks, a core lemma to show the convergence is Birkhoff’s ergodic theorem. Additionally, we use the technique to estimate directed information and demonstrate the effectiveness of our approach in simulations. 相似文献
75.
76.
Ali Ghaffari 《Acta Mathematica Hungarica》2012,134(1-2):177-192
Let S be a foundation locally compact topological semigroup, and let M a (S) be the space of all measures μ∈M(S) for which the maps x?|μ|?δ x and x?|μ|?δ x from S into M(S) are weakly continuous. The purpose of this article is to develop a notion of character amenability for semigroup algebras. The main results concern the χ-amenability of M a (S). We give necessary and sufficient conditions for the existence of a left χ-mean on M a (S)?. 相似文献
77.
Bittrich E Burkert S Müller M Eichhorn KJ Stamm M Uhlmann P 《Langmuir : the ACS journal of surfaces and colloids》2012,28(7):3439-3448
Temperature-sensitive poly(N-isopropylacrylamide) (PNIPAAm) brushes with different molecular weights M(n) and grafting densities σ were prepared by the "grafting-to" method. Changes in their physicochemical properties according to temperature were investigated with the help of in situ spectroscopic ellipsometry and in situ attenuated total reflection Fourier-transform infrared (ATR-FTIR) spectroscopy. Brush criteria indicate a transition between a brush conformation below the lower critical solution temperature (LCST) and an intermediate to mushroom conformation above the LCST. By in situ ellipsometry distinct changes in the brush layer parameters (wet thickness, refractive index, buffer content) were observed. A broadening of the temperature region with maximum deswelling occurred with decreasing grafting density. The brush layer properties were independent of the grafting density below the LCST, but showed a virtually monotonic behavior above the LCST. The midtemperature ?(half) of the deswelling process increased with increasing grafting density. Thus grafting density-dependent design parameters for such functional films were presented. For the first time, ATR-FTIR spectroscopy was used to monitor segment density and hydrogen bonding changes of these very thin PNIPAAm brushes as a function of temperature based on significant variations of the methyl stretching, Amide I, as well as Amide II bands with respect to intensity and wavenumber position. No dependence on M(n) and σ in the wavenumber shift of these bands above the LCST was found. The temperature profile of these band intensities and thus segment density was found to be rather step-like, exceeding temperatures around the LCST, while the respective profile of their wavenumber positions suggested continuous structural and hydration processes. Remaining buffer amounts and residual intermolecular segment/water interaction in the collapsed brushes above the LCST could be confirmed by both in situ methods. 相似文献
78.
Mohammad Ghaffari Mark Shannon H. Hui Ooi Kiang Tan Ahmad Irannejad 《Surface science》2012,606(5-6):670-677
In this report, SrTi(1 ? x)Fe(x)O(3 ? δ) photocatalyst powder was synthesized by a high temperature solid state reaction method. The morphology, crystalline structures of obtained samples, was characterized by X-ray diffraction (XRD), scanning electron microscope (SEM), and transmission electron microscopy (TEM), respectively. The electronic properties and local structure of the perovskite STFx (0 ≤ x ≤ 1) systems have been probed by extended X-ray absorption fine structure (EXAFS) spectroscopy. The effects of iron doping level x (x = 0–1) on the crystal structure and chemical state of the STFx have been investigated by X-ray photoelectron spectroscopy and the valence band edges for electronic band gaps were obtained for STFx by ultraviolet photoelectron spectroscopy (UPS). A single cubic perovskite phase of STFx oxide was successfully obtained at 1200 °C for 24 h by the solid state reaction method. The XPS results showed that the iron present in the STFx perovskite structure is composed of a mixture of Fe3+ and Fe4+ (SrTi(1 ? x)[Fe3+, Fe4+](x)O(3 ? δ)). When the content x of iron doping was increased, the amount of Fe3+ and Fe4+ increased significantly and the oxygen lattice decreased on the surface of STFx oxide. The UPS data has confirmed that with more substitution of iron, the position of the valence band decreased. 相似文献
79.
Abstract
Succinimide sulfonic acid (SuSA) as a stable reagent is easily prepared by the reaction of succinimide with neat chlorosulfonic acid. This compound is able to catalyze the chemoselective conversion of amines to their corresponding N-Boc protected derivatives with (Boc)2O. All reactions were performed under mild conditions, giving the desired products in good to high yields. 相似文献80.
Khodayar Gholivand Nilufar Dorosti Fatemeh Ghaziany Manouchehr Mirshahi Sina Sarikhani 《Heteroatom Chemistry》2012,23(1):74-83
A new series of N‐phosphinylureas 5b, 6a–7c was synthesized and characterized by 1H, 13C, 31P NMR, IR, and elemental analysis. The three‐dimensional structure of 5b has been determined by X‐ray crystallography. The crystal structure revealed the existence of four independent molecules. All structures form two chains with different arrangements and connect to each other via hydrogen bonds to produce two‐dimensional polymeric chains. The cytotoxicity of cyclophosphamide (a standard antitumor compound) and its nine analogues with formula R1C6H4 NHC(O)NHP(O)XCH2C(R2)2 CH2Y(X = Y = NH, R2 = CH3, R1 = H ( 5a ), CH3 ( 5b ), NO2 ( 5c ), X = O, Y = NH, R2 = H, R1 = H ( 6a , CH3 ( 6b ), NO2 ( 6c ), and X = Y = O, R2 = CH3, R1 = H ( 7a ), CH3 ( 7b ), NO2 ( 7c )) as well as phenyl urea were evaluated in vitro against three human tumor cell lines K562, MDA‐MB‐231, and HepG2. The results showed that most of the compounds have significant activity against the selected cell lines. Also, HepG2 cells were more sensitive to all the tested compounds than other cell lines. © 2011 Wiley Periodicals, Inc. Heteroatom Chem 23:74–83, 2012; View this article online at wileyonlinelibrary.com . DOI 10.1002/hc.20754 相似文献