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1.
电子关联是目前原子结构研究中最重要的课题之一.本文利用乘以广义Lasuerre多项式作为单电子径向函数集,在一定的子空间内,用组态相互作用和微扰理论相结合的方法,计算了开壳层类锂原子基态和激发态2P,2D,2F,2G的能量和波函数.  相似文献   
2.
在球形相对论平均场模型下,采用NL3相互作用,对69N i、70N i基态以及第一、第二激发态进行计算.从核子的半径、价核子的激发能以及中子和质子的密度分布,得出结论:在69N i7、0N i第一和第二激发态都可能存在中子晕现象.  相似文献   
3.
以对角和不变法则为基础,导出了硼原子(含类硼离子)激发态(电子组态为(1s)2(2p)34)S态非相对论能量的解析表达式,并利用变分法计算出硼原子激发态4(S)态的非相对论能量值;在此基础上计算了类硼体系(Z=5~8)激发态4(S)态的能量,计算结果与实验数据符合的较好,误差小于0.6%。  相似文献   
4.
 考虑了碱金属原子高激发态价电子与原子实电子coulomb相互作用、交换相互作用以及极化相互作用(长程关联效应),计算了碱金属原子Li,Na,K高激发态(6≤N≤15,l≤2)波函数及能级.计算结果表明:交换势取为GKS势时,能级计算值比实验值偏低;取为hammerling势时,计算值与实验值符合很好.  相似文献   
5.
The Er3 doped Al2O3 powders were prepared by the sol-gel method using the aluminium isopropoxide [Al(OC3H7)3]-derived Al2O3 sols with addition of the erbium nitrate [Er(NO3)3.5H2O]. The different phase structure, including three crystalline types of (Al,Er)2O3 phases, γ, θ, α, and two Er-Al-O phases, ErAlO3 and Al10Er6O24, was obtained with the 1 mol% Er3 doped Al2O3 powders at the different sintering temperatures of 600―1200℃. The green and red up-conversion emissions centered at about 523, 545 and 660 nm, corresponding respectively to the 2H11/2, 4S3/2→4I15/2 and 4F9/2→4I15/2 transitions of Er3 , were detected by a 978 nm semiconductor laser diodes excitation. The phase structure and OH content had evident influence on the up-conversion emissions intensity. The maximum intensities of both the green and red emissions were obtained respectively for the Er3 doped Al2O3 powders sintered at 1200 ℃, which was composed mainly of α-(Al,Er)2O3, less of ErAlO3 and Al10Er6O24 phases, and with the least OH content. The two-photon absorption up-conversion process was involved in the green and red up-conversion emissions of the Er3 doped Al2O3 powders.  相似文献   
6.
Square-planar platinum(II) polypyridyl complexes represent an important class of compounds that possess a rich range of spectroscopic and photophysical proper- ties[1―17]. Some of them have demonstrated promise in wide-ranging applications including opti…  相似文献   
7.
Angular distributions for the 12C(d, p) 13C transfer reactions have been measured at Ed = 11.8 MeV, and compared with those of the DWBA calculations. By means of this comparison, density distributions of the last neutron in the ground state and the first 1/2+ state of 13Care extracted. The properties of these states in 13C have also been studied in the framework of the nonlinear relativistic mean-field theory with NL-SH parameters. It is found that the first 1/2+ state in 13C is a neutron halo state shown by both the experimental and theoretical density distributions of the last neutron.  相似文献   
8.
Photoionization and photodissociation of CH3CN were studied by a linear time of flight mass spectrometer coupled with 800 nm, 50 fs laser pulses at intensities of 6.3×1013-1.2×1014 W/cm2. The laser power dependences for principal ions CH3CN+, CH2CN+, CHCN+ and CCN+ were measured, which are consistent with the numbers of photons required to produce the ions via multiphoton ionization and dissociation. The results show that eight-photon non-resonant multiphoton ionization is the main photoionization mechanism of the parent ion CH3CN+, while the fragment ions were produced through the dissociation of the molecules in the super-excited states.  相似文献   
9.
The relaxation of the highly vibrationally excited CO (v = 1–8) by CO2 is studied by timeresolved Fourier transform infrared emission spectroscopy (TR FTIR). 193 nm laser photolysis of the mixture of CHBr3 with O2 generates the highly vibrationally excited CO(v) molecules. TR FTIR records the intense infrared emission of CO(v→v-1). The vibrational populations of each level of CO(v) have been determined by the method of spectral simulation. Based on the evolution of the time resolved populations and the differential method, 8 energy transfer rate constants of CO(v = 1–8) to CO2 molecules areobtained: (5.7±0.1), (5.9±0.1), (5.2±0.2), (3.4±0.2), (2.4±0.3), (2.2±0.4), (2.0±0.4) and (1.8±0.6) (1014 cm3 · molecule−1 · s−1), respectively. A two-channel energy transfer model can explain the feature of the quenching of CO(v) by CO2. For the lower vibrational states of CO, the vibrational energy transfers preferentially to the u3 mode of CO2 For the higher levels, the major quenching channel changes to the vibrational energy exchange between CO(v→v-1) and the u1 mode of CO2.  相似文献   
10.
The vibrational energy transfer from highly vibrationally excited CO to H2O molecules is studied by time-resolved Fourier transform infrared emission spectroscopy (TR FTIR). Following the 193 nm laser photolysis of CHBr3 and O2 the secondary reactions generate CO(v). The infrared emission of CO(v → v−1) is detected by TR FTIR. The excitation of H2O molecules is not observed. By the method of the spectral simulation and the differential technique, 8 rate constants for CO(v)/H2O system are obtained: (1.7 ±0.1), (3.4 ±0.2), (6.2 ±0.4), (8.0 ±1.0), (9.0 ±2.0), (12 ±3), (16 ±4) and (18 ±7) (1013cm3 · molecule-1· s-1). At least two reasons lead to the efficient energy transfer. One is the contributions of the rotational energy to the vibational energy defect and the other is the result of the complex collision. With the SSH andab initio calculations, the quenching mechanism of CO(v) by H2O is suggested.  相似文献   
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