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961.
The equilibrium structures and the electronic, spectroscopic and thermodynamic properties of small Pun (n=2-5) molecules are systematically investigated using the methods of general gradient approximation (GGA) of density functional theory (DFT). The results show that the bond length of the lowest-energy structure of Pu2 is 2.578 AA. The ground state structure of Pu3 is a triangle with D3h symmetry, whereas for Pu4, the ground state structure is a square (D4h) and the spin polarization of 16 for molecule Pu5 with square geometry (D4h) is the most stable structure. For the ground state structures, the vibrational spectra as well as thermodynamic parameters are worked out. In addition, the values for the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) along with the energy gap of all the Pu2-5 structures are presented. The relevant structural and chemical stabilities are predicted. 相似文献
962.
963.
Haishan Liu Hui Luo Mingxing Luo Liucheng Wang 《The European Physical Journal C - Particles and Fields》2011,71(11):1793
This paper starts with a self-contained discussion of the so-called Akulov–Volkov action SAV\mathcal{S}_{\mathrm{AV}}, which is traditionally taken to be the leading-order action of the Goldstino field. Explicit expressions for SAV\mathcal{S}_{\mathrm{AV}} and its chiral version SAVch\mathcal{S}_{\mathrm{AV}}^{\mathrm{ch}} are presented. We then turn to the issue on how these actions are related to the leading-order action SNL\mathcal{S}_{\mathrm{NL}} proposed in the newly proposed constrained superfield formalism. We show that SNL\mathcal{S}_{\mathrm{NL}} may yield SAV/SAVch\mathcal{S}_{\mathrm {AV}}/\mathcal{S}_{\mathrm{AV}}^{\mathrm{ch}} or a totally different action SKS\mathcal{S}_{\mathrm{KS}}, depending on how the auxiliary field in the former is integrated out. However, SKS\mathcal{S}_{\mathrm{KS}} and SAV/SAVch\mathcal{S}_{\mathrm {AV}}/\mathcal{S}_{\mathrm{AV}}^{\mathrm{ch}} always yield the same S-matrix elements, as one would have expected from general considerations in quantum field theory. 相似文献
964.
X. X. Jin J. G. Du G. Jiang X. Luo X. W. Wang 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2011,64(2-3):323-329
Using density functional theory (DFT) with valence basis set LANL2TZ to study the relative stabilities and electronic properties of the most stable structures of Nb n V(0,?±1) (n = 1?6) clusters. The ground state structures of Nb n V (0,?±1) keep the similar geometric structure as the host Nb n clusters. The doping of vanadium atom enhances the chemical activities of Nb n clusters. The Nb3V and Nb6V are more stable than other clusters. The average binding energy of charged systems (Nb n V+ and Nb n V? clusters) are generally larger than neutral Nb n V clusters natural population analysis shows that there are charge transfers from niobium to vanadium atoms in the small Nb1?4V, however, for larger clusters (Nb5V and Nb6V), the charge transfers are from vanadium to niobium atoms. The vertical and adiabatic ionization potentials (VIP and AIP) are estimated and the vertical one is more close to experimental results. 相似文献
965.
The security of the quantum secret key plays a critical role in quantum communications.Thus far,one problem that still exists in existing protocols is the leakage of the length of the secret key.In this letter,based on variable quantum encoding algorithms,we propose a secure quantum key distribution scheme,which can overcome the security problem involving the leakage of the secret key.Security analysis shows that the proposed scheme is both secure and effective. 相似文献
966.
Electric field-induced stress birefringence in layered composites PbZr1-xTixO3/Polycarbonate 下载免费PDF全文
Electro-optical composites based on the product of electro-strictive and elasto-optical effects are developed.Layered composites of PbZr 1 x Ti x O 3 and polycarbonate are synthesised.Their electro-optical properties are studied.The nominal transverse electro-optical coefficient of the composite is observed to be about 3.6 times larger than that of LiNbO 3.Experiments and theoretical analyses show that the electro-optical effect of the composite has a strong ’size effect’.With the ratio of thickness/length decreasing or the width of elasto-optical phase increasing,the half-wave electric field intensity increases but the transverse electro-optical coefficient decreases for the layered composite. 相似文献
967.
A low specific on-resistance (R S,on) silicon-on-insulator (SOI) trench MOSFET (metal-oxide-semiconductor-field-effect-transistor) with a reduced cell pitch is proposed.The lateral MOSFET features multiple trenches:two oxide trenches in the drift region and a trench gate extended to the buried oxide (BOX) (SOI MT MOSFET).Firstly,the oxide trenches increase the average electric field strength along the x direction due to lower permittivity of oxide compared with that of Si;secondly,the oxide trenches cause multiple-directional depletion,which improves the electric field distribution and enhances the reduced surface field (RESURF) effect in the SOI layer.Both of them result in a high breakdown voltage (BV).Thirdly,the oxide trenches cause the drift region to be folded in the vertical direction,leading to a shortened cell pitch and a reduced R S,on.Fourthly,the trench gate extended to the BOX further reduces R S,on,owing to the electron accumulation layer.The BV of the MT MOSFET increases from 309 V for a conventional SOI lateral double diffused metal-oxide semiconductor (LDMOS) to 632 V at the same half cell pitch of 21.5 μm,and R S,on decreases from 419 m · cm 2 to 36.6 m · cm 2.The proposed structure can also help to dramatically reduce the cell pitch at the same breakdown voltage. 相似文献
968.
Propagation and interaction of ion-acoustic solitary waves in a quantum electron-positron-ion plasma 下载免费PDF全文
This paper discusses the existence of ion-acoustic solitary waves and their interaction in a dense quantum electron-positron-ion plasma by using the quantum hydrodynamic equations.The extended Poincar’e-Lighthill-Kuo perturbation method is used to derive the Korteweg-de Vries equations for quantum ion-acoustic solitary waves in this plasma.The effects of the ratio of positrons to ions unperturbation number density p and the quantum diffraction parameter H e (H p) on the newly formed wave during interaction,and the phase shift of the colliding solitary waves are studied.It is found that the interaction between two solitary waves fits linear superposition principle and these plasma parameters have significantly influence on the newly formed wave and phase shift of the colliding solitary waves.The investigations should be useful for understanding the propagation and interaction of ion-acoustic solitary waves in dense astrophysical plasmas (such as white dwarfs) as well as in intense laser-solid matter interaction experiments. 相似文献
969.
Current–voltage (J–V) characteristics of epitaxial hetero-junctions composed of Pr0.7Ca0.3MnO3 and Nb:SrTiO3 were studied under forward and reversed bias conditions. Detailed analysis showed that the J–V characteristics of these heterojunctions can be well-fitted by the thermally-assisted tunnelling model. While the dielectric constant of Nb:SrTiO3 extracted under the forward bias was about one order of magnitude smaller than that of bulk SrTiO3, the value obtained under reverse bias was very close to that of the bulk SrTiO3. The result can be explained by the existence of an interface layer on the Nb:SrTiO3 substrate with a smaller effective dielectric constant. The current finding suggested that the properties of interface layer should be taken into account in order to accurately simulate the J–V characteristics of such heterojunctions. 相似文献
970.
X. Zhang Z. M. Wang S. Y. Luo G. L. Wang Y. Zhu Z. Y. Xu C. T. Chen 《Applied physics. B, Lasers and optics》2011,102(4):825-830
Fourth harmonic generation of a tunable Ti:sapphire laser with a repetition rate of 80?MHz and pulse duration ??150 fs has been realized in a single pass with an RbBe2BO3F2 crystal for the first time. A high average power was obtained which was tunable throughout a wide range from 180 to 232.5?nm. The output power over the whole range exceeded 2?mW, the highest being 43.3?mW at 202.5?nm. Moreover, deep-ultraviolet output with powers above 75?mW was obtained at 193.5 and 200?nm under a stronger focusing condition. This is the first attempt at the generation of tunable deep-ultraviolet light without using a KBBF crystal, which is very difficult to grow due to its strong layering tendency, and our attempt may provide new opportunities for the development of all-solid-state deep-ultraviolet coherent light sources. 相似文献