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101.
By taking into account all the irreducible representations and their components in the electron-phonon interaction (EPI) as well as all the levels and the admixtures of basic wavefunctions within d^3 electronic configuration,the values of all the parameters in the expressions of thermal shift (TS) and thermal broadening (TB) due to EPI for the ground level,R level and R line of MgO:Cr^3 have microscopically been evaluated;and then,TS and TB of R line and various contributions to them have uniformly been calculated.The results are in very good agreement with the experimental data.It is found that all the three terms of TS due to EPI are red shifts;the Raman term is the largest one,and the optical-branch term and neighbor-level term are important for TS;the contribution to TS from thermal expansion is blue shift,which is also important.The R-line TS of MgO:Cr^3 comes from the first-order term of EPI.The elastic Raman scattering of acoustic phonons plays a dominant role in R-line TB of MgO:Cr^3 .For both TS and TB,it is very important to take into account all the admixtures of basic wavefunctions within d^3 electronic configuration. 相似文献
102.
103.
J.P. Bouanich A. Predoi-Cross R.L. Sams C.P. Rinsland V. Malathy Devi 《Journal of Molecular Spectroscopy》2005,231(1):85-95
A semiclassical theory based upon the Robert-Bonamy formalism has been developed to explain the experimental measurements of self-broadening, self-induced pressure shift coefficients in the ν1,ν2, 2ν2 bands of H12C14N and the 2ν1 band of H13C14N, as well as the temperature dependences of these parameters with special emphasis on the ν2 band. Our calculations include only electrostatic interactions and neglect the vibrational dependence of the isotropic part of the intermolecular potential, which probably has a weak contribution to the HCN self-shifts for the bands investigated in this study. The agreement between theory and measurements is good in the cases of self-broadening coefficients and their variation with temperature, as well as the self-shift coefficients determined at room temperature. However, the observed temperature dependence of self-shift coefficients in the ν2 band is different from that derived theoretically. 相似文献
104.
G.D. Roston M.S. Helmi 《Journal of Quantitative Spectroscopy & Radiative Transfer》2006,101(2):201-204
As the ground state potential curve is strongly related to spectral line shapes, the minumum position of the ground state potential is obtained from the experiemental absorption profile k(Δν, T) at high density of the radiating atoms. The temperature dependence of the absorption processes of Hg and Cd lines 253.65 and 326.1 nm, respectively perturbed by inert gases (Xe, Kr, Ar and Ne) had been carefully studied over a wide spectral range. Using the point of the maximum temperature dependence Δνm in each case, we are able to calculate the position of the ground state potential Rm using a simple formula. 相似文献
105.
A simple technique of pulse compression, based on the linear chirp compensation of self-phase modulation (SPM) spectra in dispersion shifted fibers, is demonstrated. The optimization procedure is carried out, for a short span of a single-mode fiber, using a parabolic law, which describes the behavior of the squared output pulse width versus the pump peak power in the case of Gaussian pulses. The experimental results give a minimum pulse duration of 233 fs, which is in good agreement with the model. Shorter and coherent pulses, down to 90 fs, have been obtained by inserting an interference filter at the optical output. 相似文献
106.
G.Yu. Golubiatnikov M.A. Koshelev A.F. Krupnov 《Journal of Molecular Spectroscopy》2003,222(2):191-197
Low pressure measurements of broadening parameters of the 118.75 GHz fine structure line of oxygen molecule have been made by a BWO-based spectrometer with acoustic detector (RAD) at room temperature. Pressure broadening parameters were obtained for the buffer gases O2, N2, Ne, He, Ar, H2O, CO2, and CO and have the following values 2.23 ± 0.01, 2.245 ± 0.02, 1.375 ± 0.02, 1.62 ± 0.03, 2.005 ± 0.02, 2.52 ± 0.04, 2.66 ± 0.08, and 2.31 ± 0.05 MHz/Torr, respectively. Measured central frequency is 118 750.340 ± 0.007 MHz. The central frequencies and broadenings by O2 and N2 of fine structure lines 1+, 5−, 7+, 11+, and 15− belonging to the 60-GHz band are also measured. Comparison of previous and recent data on electronic, rotational, and fine structure lines broadenings reveals their close values (within 10%) and dependencies on corresponding rotational quantum numbers for these different oxygen spectra stretching from millimeter through submillimeter up to the optical bands. Such similarity could be used for estimation of the broadenings of not measured yet oxygen lines. 相似文献
107.
Using a semiclassical approach, we have considered electron-, proton-, and ionized helium-impact line width and shifts for
32 Y III multiplets.
Published in Zhurnal Prikladnoi Spektroskopii, Vol. 65, No. 4, pp. 476–481, July–August, 1998. 相似文献
108.
109.
For the purpose of atmospheric applications, we have measured N2- and O2-induced broadenings and shapes of rotational lines of N2O in the 235-350 K temperature range, precisely the J=8←7, J=22←21, and J=23←22 lines, located near 201, 552, and 577 GHz, respectively. The analysis of experimental lineshapes shows up significant deviations from the Voigt profile, which are characteristic of line narrowing processes. In a first step, the Voigt profile was considered for the determination of pressure broadening parameters and of their temperature dependencies. Results are in good agreement with the dependence from rotational quantum number previously observed for other rotational and rovibrational lines. They are well explained by calculations based on a semiclassical formalism that includes the atom-atom Lennard-Jones potential in addition to electrostatic interactions up to hexadecapolar contributions. In a second step, observed lineshapes were analyzed by using the Galatry profile and a speed-dependent Voigt profile. The nonlinear pressure behavior observed for the diffusion rate β involved in the Galatry profile leads to rule out the possible role of velocity/speed changing collisions, and to infer that discrepancies from the Voigt profile result from the dependence of relaxation rates on molecular speeds. This interpretation is supported by the comparison of optical and kinetic radii and confirmed by theoretical calculations of relaxation rates. Finally, it can be claimed that, for the N2O-N2 and N2O-O2 systems, deviations from the Voigt profile are explained by a speed-dependent Voigt profile. 相似文献
110.
活化LaNi5衍射峰各向异性应力展宽模型在LHPM程序中的实现 总被引:1,自引:1,他引:0
在活化LaNi5的粉末衍射轮廓中会出现较明显的各向异性展宽现象,这给衍射数据的Rietveld分析带来相当的难度.Rodriguez-Carvajal提出了一个唯像模型,只需精修少量的参数就能对于各向异性展宽的衍射峰获得较好的拟合.基于这个模型的原理,本文描述了活化laNi5衍射峰各向异性应力展宽模型在LHPM 6.5中的实现过程,并将所得结果与FullProf 2000的结果进行了比较. 相似文献