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11.
E. S. Dy H. Kasai 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2007,41(2):241-245
We study the interaction between tin(II) porphyrin (SnPor) with platinum and
non-precious Group 8B metals (iron, cobalt and nickel) by density functional
theory and discuss the electronic properties of the resulting products. We
also model the interaction of the resulting compounds with water where
applicable. Our studies indicate that, SnPor-Ni possesses electronic
properties similar to SnPor-Pt, suggesting that it may possess similar
photocatalytic properties for reduction reactions, such as converting water
to hydrogen gas. 相似文献
12.
L. Bartosch P. Kopietz 《The European Physical Journal B - Condensed Matter and Complex Systems》2002,28(1):29-36
We consider the effect of Coulomb interactions on the average density of states (DOS) of disordered low-dimensional metals
for temperatures T and frequencies ω smaller than the inverse elastic life-time 1/τ. Using the fact that long-range Coulomb interactions in two dimensions (2d) generate ln2-singularities in the DOS ν(ω) but only ln-singularities in the conductivity σ(ω), we can re-sum the most singular contributions
to the average DOS via a simple gauge-transformation. If σ(ω) > 0, then a metallic Coulomb gapν(ω) ∝ |ω|/e
4 appears in the DOS at T = 0 for frequencies below a certain crossover frequency Ω
2 which depends on the value of the DC conductivity σ(0). Here, - e is the charge of the electron. Naively adopting the same procedure to calculate the DOS in quasi 1d metals, we find ν(ω) ∝ (|ω|/Ω
1)1/2exp(- Ω
1/|ω|) at T = 0, where Ω
1 is some interaction-dependent frequency scale. However, we argue that in quasi 1d the above gauge-transformation method is on less firm grounds than in 2d. We also discuss the behavior of the DOS at finite temperatures and give numerical results for the expected tunneling conductance
that can be compared with experiments.
Received 28 August 2001 / Received in final form 28 January 2002 Published online 9 July 2002 相似文献
13.
14.
The 11 800-14 380 cm−1 frequency range has been scanned for rotationally resolved rovibronic transitions in the A2B2-X2A1 electronic band system of the symmetric (C2v) 16O14N16O and 18O14N18O isotopologues and in the corresponding electronic band system of the asymmetric (Cs) 18O14N16O isotopologue. The rotational analysis—reflecting minor differences in mass—in combination with symmetry induced spectral differences allows an identification of 68 16O14N16O vibronic levels, 26 18O14N18O vibronic levels and 51 18O14N16O vibronic levels. The bands are recorded using near infrared fluorescence spectroscopy and a piezo valve based pulsed molecular beam expansion of premixed 18O2 and 14N16O in Ar. The majority of the observed bands is rotationally assigned and can be identified as transitions starting from the vibrational ground state of one of the isotopologues. Numerous hot bands have also been identified. A comparison of the overall spectroscopic features of C2v vs. Cs symmetric species provides qualitative information on symmetry dependence of vibronic couplings. 相似文献
15.
苝二酸酐与嘧啶衍生物的氢键组装 总被引:1,自引:0,他引:1
用半经验AM1方法对苝二酸酐与嘧啶衍生物的1:1及1:2氢键复合物进行理论研究,表明随着氢键数目增多,弱相互作用能变大,主体上的供电基和客体上的吸电基有利于氢键相互作用,氢键导致电子从主体流向客体.用INDO/SCI方法计算配合物的电子光谱,表明其长波吸收峰与主体相比发生兰移,各配合物的长波吸收峰位置相差不大,与实验一致.讨论吸收峰兰移的原因并对电子跃迁进行理论指认,同时得到了配合物的双质子转移势能曲线,给出了相对于N-H键的过渡态和活化能. 相似文献
16.
D. M. Bhardwaj D. C. Jain S. Dalela Ravi Kumar N. L. Saini K. B. Garg 《Physica B: Condensed Matter》2004,350(4):366-374
We have made the XAFS measurements at the Cr–K-edge on natural Indian ruby single crystals (corundum) and its two irradiated samples with fluence 1×1012 Ni6+ and 5×1012 Ni6+ ions/cm2. Irradiated samples show interesting changes in their physical appearance. XANES measurements show progressive decrease in Δoct value on increase of Ni fluence in irradiated samples. EXAFS measurements on these samples show decrease in Cr–O distance on increase of Ni fluence. Lowering of Δoct value is correlated with the increase of Cr–O distance. 相似文献
17.
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
18.
Applications of electronic speckle interferometry (ESI) techniques for spacecraft structural components 总被引:1,自引:0,他引:1
Laser-based electronic speckle interferometry (ESI) techniques, viz., electronic speckle pattern interferometry (ESPI) and electronic speckle shearographic interferometry (ESSI) are used for testing of spacecraft structural components. The combined ESPI and ESSI system developed in house was successfully used for the non-destructive evaluation (NDE) of honeycomb sandwich panels and propellant tanks of Indian Space Research Organization (ISRO). Debonds between face sheet and the honeycomb core were identified using (i) thermal and (ii) dual vacuum stressing methods. On-line NDE of the propellant tanks under internal pressure loading for identification of the minute cracks and thickness reduction areas were successfully implemented by ESI. 相似文献
19.
Hiroshi Sakurai Fumitake Itoh Katsuyoshi Takano Hiromi Oike 《Journal of Physics and Chemistry of Solids》2004,65(12):2083-2088
A novel technique of measuring a magnetic Compton profile using the grazing angle geometry against a sample surface (Grazing Incidence Magnetic Compton Profile) has been successively developed. Measurements of a magnetic moment and a magnetic Compton profile are possible for a Fe 200 nm film on a thick glass substrate. The estimated thinnest limit for measurements is 100 nm for a Fe film. 相似文献
20.
High temperature scanning tunneling spectroscopy (HT-STS) was used to investigate the electronic structure of Au(1 1 1) at different temperatures in the energy range 0-1 eV below the Fermi level. We concentrated on the influence of temperature on the Shockley surface state (SS) appearing on noble metals surface due to a surface projected bulk bang gap in [1 1 1] direction. The influence of temperature on the projected band gap edge (BE) was also investigated. The experiment was carried out in the temperature range 294-580 K. As the result of the experiment a delicate shift of the SS and the BE in direction of the Fermi level was reported. 相似文献