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91.
F. Despa R. S. Berry 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2003,24(1-3):37-40
Interpretive theoretical tools prove valuable in guiding
the analysis of experiments in the realm of atomic clusters.
Here, we review basic elements of an analytic approach that
makes it possible to find and visualize the effective
electrostatic potential and Coulomb correlations in multicenter
problems. To illustrate the utility of these concepts we apply
them to exploring molecular-doped metallic clusters. This study
is aiming at a systematic, visual assessment of changes induced
in screening, Coulomb correlation and effective potential by
varying the charge of the electronegative impurity and its
position in the cluster cage. 相似文献
92.
采用紧密结合的分子动力学模型,对Na4、Na8、Na20的结构特性进行了分析。通过对这些钠原子团簇的键长涨落和径向密度分布的分析,发现在200K到250K的温度范围内有从类固相到类液相的改变 相似文献
93.
We calculate the average number of stepsN for edge-to-edge, normal, and indefinitely growing self-avoiding walks (SAWs) on two-dimensional critical percolation clusters, using the real-space renormalization-group approach, with small H cells. Our results are of the formN=AL
D
SAW+B, whereL is the end-to-end distance. Similarly to several deterministic fractals, the fractal dimensionsD
SAW for these three different kinds of SAWs are found to be equal, and the differences between them appear in the amplitudesA and in the correction termsB. This behavior is atributed to the hierarchical nature of the critical percolation cluster. 相似文献
94.
95.
96.
97.
J. Mejía-López J. Pinto A. H. Romero 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2008,50(1):45-52
We report a structural, electronic and magnetic analysis of minimal MnnS clusters, n = 1–13, from ab initio calculations. Total geometry optimizations were performed by considering compact manganese
clusters, doped with a single sulphur atom. The doping was added to the cluster by considering substitution, interstitial
and adsorbed positions. To further investigate the influence of the sulphur doping on the magnetic properties of manganese
clusters, we performed non collinear magnetic calculations within the local spin density approximation (LSDA) for the exchange-correlation.
We find that the electronic properties can be better controlled when the cluster is doped with a sulphur atom, and less size
dependent. There are no differences in the magnetic properties of doped and non-doped clusters, except for n=7 and 8, in which
the total magnetic moment per atom are smaller in doped clusters. 相似文献
98.
第一性原理对GanP-m阴离子团簇结构及其光电子能谱的研究 总被引:1,自引:2,他引:1
本文利用密度泛函理论(DFT)对GanP-(n=2-7)和GanP2-(n=1-6)阴离子团簇的几何结构、电子态及稳定性进行了研究.在B3LYP/6-31G*水平上进行了结构优化和频率分析,得到了GanP-(n=2-7)和GanP2-(n=1-6)团簇的基态结构.这些阴离子团簇的几何结构随着n的增大,在n=5时由平面结构转化为立体结构;在GanP2-(n=1-6)团簇中,P-P比Ga-P容易成键;在GanP-(n=2-7)和GanP2-(n=1-6)阴离子团簇中,Ga3P2-,Ga4P2-,Ga5P2-和Ga6P-的基态结构最稳定. 相似文献
99.
Study on the interaction of intense femtosecond laser pulses with nanometre-sized hydrogen clusters 下载免费PDF全文
The interaction of intense femtosecond laser pulses with hydrogen clusters
has been experimentally studied. The hydrogen clusters were produced from
expansion of high-pressure hydrogen gas (backed up to 8\tm106Pa) into vacuum
through a conical nozzle cryogenically cooled by liquid nitrogen. The
average size of hydrogen clusters was estimated by Rayleigh scattering
measurement and the maximum proton energy of up to 4.2keV has been obtained
from the Coulomb explosion of hydrogen clusters under 2×1016 W/cm2 laser irradiation. Dependence of the maximum proton energy on cluster size and laser intensity was
investigated, indicating the correlation between the laser intensity and the
cluster size. The maximum proton energy is found to be directly proportional
to the laser intensity, which is consistent with the theoretical prediction. 相似文献
100.
Shoaib Ahmad 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2002,18(3):309-318
The mechanisms and processes of the formation of the regenerative soot in a graphite hollow cathode discharge that produces
and emits carbon clusters are presented. Mass spectrometry with a specially designed E×B velocity filter analyzes the entire range of the charged clusters from C
1 to ∼C
4300. The state of the carbon vapour within the source is evaluated by using the characteristic line emissions from the carbonaceous
discharge whose formative mechanisms depend upon the kinetic and potential sputtering of the sooted cathode. The carbonaceous
discharge generates atomic and ionic C and its clusters C
m (m≥ 2), noble gas metastable atoms and ions, energetic electrons and photons in the cavity of the graphite hollow cathode. The
parameters of soot formation and its recycling depend critically on the discharge parameters, the geometry of the hollow cathode
and 3D profile of the cusp magnetic field contours.
Received 2nd July 2001 and Received in final form 10 September 2001 相似文献