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11.
M. Mahjour-Shafiei H.R. Amir-Ahmadi J.C.S. Bacelar R. Castelijns K. Ermisch E.D. van Garderen I. Gašparić M.N. Harakeh N. Kalantar-Nayestanaki M. Kiš H. Löhner O. Scholten 《Physics letters. [Part B]》2006
A series of nucleon–nucleon bremsstrahlung (NNγ) experiments at 190 MeV incident beam energy have been performed at KVI in order to gain more insight into the dynamics governing the bremsstrahlung reaction. After initial measurements wherein the bremsstrahlung process was studied far away from the elastic limit, a new study was used to probe the process nearer to the elastic limit by measuring at lower photon energies. Measured cross sections and analyzing powers are compared with the predictions of a microscopic model and those of two soft-photon models. The theoretical calculations overestimate the data by up to ≈30%, for some kinematics. 相似文献
12.
Qingde Zhang Yisheng Tan Caihong Yang Yizhuo Han Jun Shamoto Noritatsu Tsubaki 《天然气化学杂志》2007,16(3):322-325
The attractive utilization route for one-step catalytic oxidation of dimethyl ether to dimethoxymethane was successfully carried out over the H3PW12O40(40%)/SiO2 catalyst, modified by Cs, K, Ni, and V. The Cs modification of H3PW12O40(40%)/SiO2 gave the most promising result of 20% dimethyl ether conversion and 34.8% dimethoxymethane selectivity. Dimethoxymethane could be synthe- sized via methoxy groups decomposed from dimethyl ether through the synergistic effect between the acid sites and the redox sites of Cs modified H3PW12O40(40%)/SiO2. 相似文献
13.
Gold-gold interactions in small polynuclear complexes are analysed using extended Hückel calculations. They are influenced by the nature of the ligand donor atoms, by the bridging ligands, but most by the formal oxidation state of the metal. Au---Au bonds are much stronger in complexes of Au(II) and Au(III), but a weak interaction between two d10 centres exists for Au(I) complexes, owing to mixing of the s and p orbitals with the d orbitals. Phosphines induce stronger metal-metal bonds when coordinated trans to the Au---Au bond in [Au(II)[(CH2)2PPh2]L]2 (Ph = phenyl), but have the opposite effect when bonded orthogonally to the metal-metal axis in Au(I) binuclear species. When two gold atoms are bridged by a single carbon atom, belonging either to mesityl (Mes = 2,4,6-Me3C6H2) or CR2, the former produces stronger Au(I)---Au(I) interactions, reflected in shorter distances. Formal oxidation states are proposed for the gold atoms in two mixed-valence clusters, [Au4(C6F5)2((PPh3)2CH})2(PPh3)2](ClO4)2 and [{(2,4,6-C6F3H2)Au(CH2PPh2CH2)2Au{in2-Au(CH2PPh2CH2)2Au](ClO4)2. The results suggest a higher oxidation state for the outer gold atoms, in both the T-shaped tetranuclear cluster and the Au6 linear chain. 相似文献
14.
Perturbative solution of the RPA equation. An application to the calculation of rotational strengths
The RPA equation is solved by perturbation in Møller-Plesset (MP) and Epstein-Nesbet (EN) partitions, which are first compared on a specific example. To still accelerate the faster one (EN), a third scheme is proposed, which involves preliminary diagonalization within a limited subset
, followed by usual EN perturbation between
and the rest of the whole configuration space. Criteria for the choice of
are given. 相似文献
15.
J. Rico B. Rubio J. L. Tain A. Gadea J. Bea L. M. Garcia-Raffi O. Tengblad P. Kleinheinz R. Menegazzo R. Wirowski P. von Brentano G. Siems J. Blomqvist 《Zeitschrift für Physik A Hadrons and Nuclei》1993,345(2):245-246
In a high sensitivity (,2n) in-beam study of
62
144
Sm82, with the Kölner Würfel OSIRIS -detector array including a Compton polarimeter, we have identified the complete two-proton multiplets d
5
2/–2
, d
5
2/–1
g
7
2/–1
, g
7
2/–2
, h11/2d
5
2/–1
and the 9– to 4– members of the h11·/2g
7
2/–1
multiplet.Work partially supported by CICYT (Spain). 相似文献
16.
The oscillator strength has been calculated from a common set of compromised orbitals, instead of sets of the two separately optimized non-orthogonal orbitals for the two states involved in the transition. Inaccuracies of two types arose from the calculations were assessed by investigating simple atomic and molecular systems. 相似文献
17.
本文报道了离子簇合物HeN2+的电子光谱的从头算结果。在MCSCF/6-31G(d,p)水平上,对其基态进行了几何优化,用该构型.在SDC1/6-31(d,p)水平上计算了基态的总能量。用SDCI方法计算得到HeN2+从基态到选择激发态的垂直跃迁能、振子强度、跃迁频率、辐射寿命以及Einstain系数。该结果可以较好的验证maier的实验。 相似文献
18.
M. Földesová V. Tomková P. Lukáč P. Dillinger 《Journal of Thermal Analysis and Calorimetry》1996,46(2):565-571
The treatment of zeolite with a solution of NaOH at different concentrations creates modified forms of natural zeolites.These modified zeolites exhibit an increased uptake of caesium and a satisfactory uptake of cobalt. The structural changes in the modified zeolites were studied by XRD analysis, which reveals the mineral compositions of the studied materials. The thermodynamic properties of the modified zeolites were studied by means of DTA and thermogravimetry, and the chemical composition too was determined. 相似文献
19.
Henning Henke 《无机化学与普通化学杂志》1993,619(2):311-317
Crystal Structure and Pseudosymmetry of a New Modification of Potassium Hexachloroniobate(V), KNbCl6. Comments on the Cubic Phase Long needles of KNbCl6 – invariably twinned around [100] – are obtained if the material is crystallized from SOCl2 solution. The structure has been determined from X-ray data collected with a single-crystal diffractometer at room temperature [space group P21/n, Z = 16, a = 6.894(1), b = 22.073(4), c = 23.337(3) Å, β = 91.00(1)°, R = 0.032 for 2 909 unique reflexions, 290 structural parameters]. Distorted NbCl6? octahedra and ?interstitial’? K+ ions are found to form similar arrangements, each of them corresponding to a closest packing of spheres with the layer sequence ACAB (stacking symbol hc). The resulting asymmetry in coordination by potassium is coupled with a strong off-centre displacement of the Nb atoms in any of the four independent chlorine polyhedra (0.14 Å on average). A pronounced pseudosymmetry accounts for the twinning. Since P21/m21/n21/b (no. 62) is already a good approximation of the real structure, only one formal step of symmetry reduction (index t2) is needed to create both, the observed twin law and the actual space group P1 21/n1. Above 180°C a reconstructive phase transition leads to the ‘face-centred cubic’ modification with ~ 10% lower density. 相似文献
20.
B. Saha T. K. Mukherjee A. K. Das P. K. Mukherjee 《International journal of quantum chemistry》2003,91(5):626-632
Dipole‐allowed transitions have been studied for the first few members of the Si isoelectronic sequence. Transition energies, oscillator strengths, transition probabilities and quantum defect values have been estimated for the low‐ and high‐lying excited states of s and d symmetries up to the principal quantum number n=7 for these 3p open shell ions from P+ to Cr10+. Time‐dependent coupled Hartree–Fock (TDCHF) theory has been utilized to calculate such transition properties. Most of the results for transition energies, oscillator strengths, and transition probabilities for higher excited states are new. The transition energies for low‐lying excited states agree well with experimental data wherever available. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001 相似文献