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141.
Sergei V. Shirin Oleg L. Polyansky Nikolai F. Zobov Roman I. Ovsyannikov Jonathan Tennyson 《Journal of Molecular Spectroscopy》2006,236(2):216-223
Adiabatic potential energy surfaces (PESs) for three major isotopologues of water, H216O, H217O, and H218O, are constructed by fitting to observed vibration-rotation energy levels of the system using the nuclear motion program DVR3D employing an exact kinetic energy operator. Extensive tests show that the mass-dependent ab initio surfaces due to Polyansky et al. [O.L. Polyansky, A.G. Császár, S.V. Shirin, N.F. Zobov, P. Barletta, J. Tennyson, D.W. Schwenke, P.J. Knowles, Science 299 (2003) 539-542.] provide an excellent starting point for the fits. The refinements are performed using a mass-independent morphing function, which smoothly distorts the original adiabatic ab initio PESs. The best overall fit is based on 1788 experimental energy levels with the rotational quantum number J = 0, 2, and 5. It reproduces these levels with a standard deviation of 0.079 cm−1 and gives, when explicit allowance is made for nonadiabatic rotational effects, excellent predictions for levels up to J = 40. Theoretical linelists for all three isotopologues of water involved in the PES construction were calculated up to 26 000 cm−1 with energy levels up to J = 10. These linelists should make an excellent starting point for spectroscopic modelling and analysis. 相似文献
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本文采用顺序等离子体光谱技术测定煤飞灰中主要成份(Ca、Mg、Fe、Al、Si、Na、K、Ti)及微量成份(Cu、Sc、V、Ni、Be、Mn)。用扫描光谱法研究了分析线的选择和光谱背景的扣除。试样用密封罐混酸溶解。测定煤飞灰标准样品NBS1633a的结果与标准值一致。方法用于测定新制备的煤飞灰标准参考物。 相似文献
144.
D. Boudjaadar V. Dana G. Guelachvili X. Thomas 《Journal of Molecular Spectroscopy》2006,238(1):108-117
Using Fourier-transform spectra and a multispectrum fitting procedure, 124 absolute line intensities of 12C16O2 are obtained for the cold band 30011-00001 and the hot band 01131-01101 between 6460 and 6950 cm−1. Vibrational transition dipole moments squared and Herman-Wallis coefficients are reported for each band. Cross comparisons made with previous experimental results and with data available in the HITRAN and Carbon Dioxide Spectroscopic Databank (CDSD), bring some confidence on the good level of accuracy of the present results. Motivated by the demanding needs of some atmospheric experiments dedicated to the survey of the carbon cycle, an additional evaluation of potential absolute line intensity measurement limit is also performed on recently published carbon dioxide absolute line intensity independent measurements. These are obtained in two different laboratories on the bands 30013-00001 and 30012-00001 both located in the 1.6 μm spectral window. It is shown that Fourier-transform experimental CO2 line intensity determination is approaching the challenging required figure of about 0.3% accuracy needed for the survey of the atmospheric carbon cycle. 相似文献
145.
Over 8000 line positions and intensities of phosphine (PH3) at 3 μm have been measured at 0.0115 cm−1 resolution with the McMath-Pierce Fourier Transform spectrometer at Kitt Peak. The observed line intensities ranged from 4.13 × 10−6 to 4.69 × 10−2 cm−2 atm−1 at 296 K, for line positions between 2724.477 and 3601.652 cm−1. This region spans eight interacting vibrational states: 3ν2 (2940.8 cm−1), 2ν2 + ν4 (3085.6 cm−1), ν2 + 2ν4 (3214.9 cm−1), ν1 + ν2 (3307.6 cm−1), ν2 + ν3 (3310.5 cm−1), 3ν4 (∼3345 cm−1), ν1 + ν4 (3426.9 cm−1), and ν3 + ν4 (3432.9 cm−1). Assignments have been determined for all the bands except 3ν4 (a weak band in a highly congested area) for a total of 4232 transitions. The total integrated intensity for this region is 5.70 cm−2 atm−1 near 296 K, and assigned lines account for 79% of the observed absorption. The two strongest bands in the region are ν1 + ν4 and ν3 + ν4 with band strengths at 296 K of 1.61 and 2.01 cm−2 atm−1, respectively. An empirical database of PH3 line parameters (positions, intensities, and assignments) is now available. Lower state energies (corresponding to assignments from this study) and line widths from the literature are included; default values are used for unassigned features. 相似文献
146.
探讨了交流电网中相线和零线的正确接法以及相线和零线接反后所造成的危害,并给出了相线和零线接反时的两种自动矫正电路。 相似文献
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介绍了S波段微带压控振荡器的设计方法,并使用微波仿真软件Serenade8.5对振荡器进行仿真分析,给出了仿真和实际电路的结果。 相似文献
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