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排序方式: 共有414条查询结果,搜索用时 15 毫秒
1.
Markus Bödenler Ludovic de Rochefort P. James Ross Nicolas Chanet Geneviève Guillot Gareth R. Davies 《Molecular physics》2019,117(7-8):832-848
ABSTRACTFast field-cycling (FFC) nuclear magnetic resonance relaxometry is a well-established method to determine the relaxation rates as a function of magnetic field strength. This so-called nuclear magnetic relaxation dispersion gives insight into the underlying molecular dynamics of a wide range of complex systems and has gained interest especially in the characterisation of biological tissues and diseases. The combination of FFC techniques with magnetic resonance imaging (MRI) offers a high potential for new types of image contrast more specific to pathological molecular dynamics. This article reviews the progress in FFC-MRI over the last decade and gives an overview of the hardware systems currently in operation. We discuss limitations and error correction strategies specific to FFC-MRI such as field stability and homogeneity, signal-to-noise ratio, eddy currents and acquisition time. We also report potential applications with impact in biology and medicine. Finally, we discuss the challenges and future applications in transferring the underlying molecular dynamics into novel types of image contrast by exploiting the dispersive properties of biological tissue or MRI contrast agents. 相似文献
2.
增长曲线模型中回归系数的广义根方估计 总被引:6,自引:0,他引:6
本文对增长曲线模型中的回归系数B提出了一种新的估计形式-广义根方估计的B(K),其中K=diag(k1,k2,…,kp)并证明了通过广义根方偏参数ki(i=1,2,…,p)的适当选取可使得该估计在均方误差矩阵的意义下优于已有的LS估计和根方估计,及广义根方估计是可容许估计,本文还给出了选取广义根方偏参数的两种方法,算法及一个应用实例。 相似文献
3.
众所周知,四阶以上辛群中指数型道路的Maslov指标可以取任意整数.本文给出了二阶辛群中指数型道路的分类及其Maslov指标的取值范围,指出了与高阶情形的不同之处. 相似文献
4.
Trilisa M. Perrine Rajat K. Chaudhuri Karl F. Freed 《International journal of quantum chemistry》2005,105(1):18-33
Simple and quadratic Padé resummation methods are applied to high‐order series from multireference many‐body perturbation theory (MR‐MBPT) calculations using various partitioning schemes (Møller–Plesset, Epstein–Nesbet, and forced degeneracy) to determine their efficacy in resumming slowly convergent or divergent series. The calculations are performed for the ground and low‐lying excited states of (i) CH2, (ii) BeH2 at three geometries, and (iii) Be, for which full configuration interaction (CI) calculations are available for comparison. The 49 perturbation series that are analyzed include those with oscillatory and monotonic divergence and convergence, including divergences that arise from either frontdoor or backdoor intruder states. Both the simple and quadratic Padé approximations are found to speed the convergence of slowly convergent or divergent series. However, the quadratic Padé method generally outperforms the simple Padé resummation. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005 相似文献
5.
Summary Free boundary value problems, too complicated for formulation as a variational inequality, are broken up into two problems on overlapping regions. On one region the problem is treated as an ordinary boundary value problem; on the second region, the free boundary part of the problem is reduced to a variational inequality. By solving the two problems successively it is shown that under certain conditions the successive solutions converge to a single function that gives a solution of the original problem. Application to a filtration problem is given. 相似文献
6.
Zwitterionic amphiphiles of the general formula H(CH2)y
+ N(CH3)2(CH2)n PO2C6H
5
–
, where the number of intercharge methylenesn is varied, were studied in dilute aqueous solution. Their critical micellar concentrations show a peculiar variation withn, first increasing asn varies from 1 to 4 and then slowly decreasing as methylenes are added up to 10. This behavior is interpreted as being the consequence of two opposite contributions. The first is the classical CMC lowering due to the increase of hydrophobic character with the total number of methylene groups in the surfactant molecule. The second contribution is the increase in the dipole moment of the zwitterionic headgroup withn, leading to stronger dipole-dipole repulsions between headgroups at the micellar surface. Experimental results suggest that the dipole moment does not increase linearly withn because of the polymethylene chain flexibility. This is supported by13C NMR relaxation experiments. 相似文献
7.
Isaac Zigelboim Daniel Offen Eldad Melamed Hana Panet Moshe Rehavi Yoram Cohen 《Journal of inclusion phenomena and macrocyclic chemistry》2007,59(3-4):323-329
Although magnetic resonance imaging (MRI) is one of the most important imaging modalities of the central nervous system (CNS),
one of the main drawbacks of MRI is its limited specificity. This can potentially be partially alleviated by target-specific
contrast agents. In the present paper we describe a simple high yield synthesis of two such gadolinium-based spiperone targeted
MRI contrast agents, 1a and 1b. The R1 relaxivities of 1a and 1b were evaluated and found to be 5.94 and 8.31 mM−1 s−1, respectively at 9.4T, while their R2 relaxivities at the same magnetic field were found to be 18.05 and 22.60 mM−1 s−1, respectively. In addition and very importantly compound 1a, which is a gadolinium-based, spiperone-targeted MRI contrast agent, was found to preserve some of the spiperone affinity
toward the dopamine D2 receptor. Compounds 1a and 1b thus represent potential agents for in vitro dopamine receptor imaging using MRI in experimental models.
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
8.
At sufficiently high concentrations of methanol and of alkali salts in aqueous silica dispersions, the negative -potentials of the particles are decreased. This effect is more pronounced with lithium than with other alkali cations, and it is independent on the anion. The NMR spectra indicate lithium adsorption on silica from mixed solvents, but not in the absence of alcohol.Supported by a contract with the XMX Corporation, Burlington, Massachusetts, USA 相似文献
9.
10.
Bernard Vidal 《光谱学快报》2013,46(4):621-638
Since the beginning of the UV absorption spectroscopy, the intensity of the secondary transition of the benzene chromophore in organic derivatives has been a puzzling challenge. The well known vector model has led to some qualitative evaluation of intensity, but accuracy is very low, and sometimes leads to no less than 50% or 100% error. 1–8 It is designed for very weak perturbations only, as in methylbenzenes. But, even in that latter case, it is not completely satisfactory. Nevertheless, that model is very easy to use; it allows to determine the sensitive positions around the benzene nucleus: those which could enhance or quench intensity for a given pattern of substitution. On that ground it has been of much help for qualitative evaluations. With SCF methods and CI calculations, evaluation of transition moments for several benzene derivatives has been possible on a firmer ground. In fact, such an approach is useful mainly from a theoretical point of view, when accuracy is not the first aim, for some choosen molecules at the same time, since the involvement of computation is far from being negligible, and since the method is not part of the ones that are of common use in organic chemistry 9,10 (for a recent example on oscillator strength calculations of π systems see:11). In other words, it is not perfectly valuable on a large scale and routine approach and, from that point of view, UV spectroscopy of benzene derivatives appeared sometimes, from 1965 till now, as being in a cul-de-sac, although it was under thorough examination (for example: 12–30). Until recently ab initio calculations have failed to reach a fit with experiment better than 1 eV for the spectrum of the benzene molecule31–32) 相似文献