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151.
Using three-dimensional time-domain numerical simulations of the nonlinear dispersive Maxwell equations for a defect microcavity in a photonic crystal wire, we show that the transmission through the bandgap can be all-optically modulated via the generation of transient states associated with the nonlinear splitting of the defect mode. Analytical results based on time-domain coupled-mode theory are derived as well. 相似文献
152.
Cerdeiriña CA González-Salgado D Romani L Delgado Mdel C Torres LA Costas M 《The Journal of chemical physics》2004,120(14):6648-6659
A model for the temperature dependence of the isobaric heat capacity of associated pure liquids C(p,m)(o)(T) is proposed. Taking the ideal gas as a reference state, the residual heat capacity is divided into nonspecific C(p) (res,ns) and associational C(p) (res,ass) contributions. Statistical mechanics is used to obtain C(p)(res,ass) by means of a two-state model. All the experimentally observed C(p,m)(o)(T) types of curves in the literature are qualitatively described from the combination of the ideal gas heat capacity C(p)(id)(T) and C(p)(res,ass)(T). The existence of C(p,m)(o)(T) curves with a maximum is predicted and experimentally observed, for the first time, through the measurement of C(p,m)(o)(T) for highly sterically hindered alcohols. A detailed quantitative analysis of C(p,m)(o)(T) for several series of substances (n-alkanes, linear and branched alcohols, and thiols) is made. All the basic features of C(p,m)(o)(T) at atmospheric and high pressures are successfully described, the model parameters being physically meaningful. In particular, the molecular association energies and the C(p)(res,ns) values from the proposed model are found to be in agreement with those obtained through quantum mechanical ab initio calculations and the Flory model, respectively. It is concluded that C(p,m)(o)(T) is governed by the association energy between molecules, their self-association capability and molecular size. 相似文献
153.
Gutsul EI Belkova NV Sverdlov MS Epstein LM Shubina ES Bakhmutov VI Gribanova TN Minyaev RM Bianchini C Peruzzini M Zanobini F 《Chemistry (Weinheim an der Bergstrasse, Germany)》2003,9(10):2219-2228
The reactions of the octahedral dihydrido complexes [MH(2)(PP(3))] [M=Fe, Ru, Os; PP(3)=P(CH(2)CH(2)PPh(2))(3)] with a variety of weak ROH acids have been studied by IR and NMR methods in either CH(2)Cl(2) or THF in the temperature range from 190 to 290 K. This study has allowed the determination of the spectral and thermodynamic properties associated with the formation of dihydrogen bonds (DHB) between the terminal hydrides and the OH group. Both the DHB enthalpy values and the hydride basicity factors (E(j)) have been found to increase in the order Fe < Ru < Os. The proton transfer process, leading to the DHB complexes, and eventually to eta(2)-H(2) products, has been found to depend on the acidic strength of the alcohol as well as the nature of the solvent. Low temperature IR and NMR techniques have been used to trace the complete energy profile of the proton transfer process involving the osmium complex [OsH(2)(PP(3))] with trifluoroethanol. 相似文献
154.
Bonardi M Birattari C Groppi F Gini L Ghioni A Mainardi HS Arginelli D Gallorini M Rizzio E Sabbioni E 《Annali di chimica》2003,93(4):363-372
In this paper are presented the production methods for very "high specific activity" radionuclides (HSA-RN) of vanadium, manganese and thallium which have been developed in our laboratories for labelling different chemical forms of these elements present in the echo-systems in ultra-trace amounts, for metallo-toxicological and bio-kinetic studies. Use was made of both cyclotron and thermal nuclear reactor. If the nuclear reaction product has atomic number different from irradiated target, it is possible separating the radioactive nuclide from irradiated target, without addition of isotopic carrier. This kind of radionuclide is named No Carrier Added, NCA, and his specific activity, As is very high and can reach values close to the theoretical Carrier Free one, CF. The experimental determination of specific activity, chemical and radiochemical purities is mandatory for all these kinds of applications. 相似文献
155.
156.
Dalvit C Fagerness PE Hadden DT Sarver RW Stockman BJ 《Journal of the American Chemical Society》2003,125(25):7696-7703
Competition ligand-based NMR screening experiments have recently been introduced to overcome most of the problems associated with traditional ligand-based NMR screening. Molecules with marginal solubility and high affinity for a given target can be easily identified in a high-throughput manner by screening chemical mixtures against the target in the presence of a weak- to medium-affinity ligand of known binding constant. While the original competition-based approaches utilized (1)H detection, significant advantages are obtained using (19)F detection. The absence of spectral overlap permits the screening of large chemical mixtures and allows for automated analysis of the spectra, even in the presence of protonated buffers, solvents, and detergents. The large chemical shift anisotropy of fluorine and the significant exchange contribution allow for the selection of a weak-affinity spy molecule, thus resulting in a lower binding affinity threshold for the identified NMR hits. The method, labeled FAXS (fluorine chemical shift anisotropy and exchange for screening) is rapid and requires only a limited amount of protein and, therefore, compares favorably with the other established non-NMR techniques used in high-throughput screening. Herein the theoretical aspects of this powerful (19)F-based approach are presented and discussed in detail. The experimental conditions together with the detection limits and binding constant measurements are investigated using human serum albumin as the target. 相似文献
157.
Claudio Nebbia 《Proceedings of the American Mathematical Society》2000,128(2):347-351
In this paper we prove that every closed noncompact group of isometries of a homogeneous tree which acts transitively on the tree boundary contains a normal closed cocompact subgroup which is minimally almost periodic. Moreover we prove that is a topologically simple group.
158.
Alfio Bonanno Giampiero Esposito Claudio Rubano Paolo Scudellaro 《General Relativity and Gravitation》2007,39(2):189-209
In the framework of renormalization-group improved cosmologies, we use the Noether symmetry approach to get exact and general
integration of the matter-dominated cosmological equations. This is performed by using an expression of Λ = Λ (G) determined by the method itself. We also work out a comparison between such a model and the concordance ΛCDM model as to
the magnitude–redshift relationship, hence showing that no appreciable differences occur. 相似文献
159.
Tom Schoonjans Antonio Brunetti Bruno Golosio Manuel Sanchez del Rio Vicente Armando Solé Claudio Ferrero Laszlo Vincze 《Spectrochimica Acta Part B: Atomic Spectroscopy》2011,66(11-12):776-784
This work presents the recent developments of xraylib, an ANSI C library that provides convenient access to a large number of X-ray related databases, with a focus on quantitative X-ray fluorescence applications. The enhancements include improved X-ray fluorescence production cross sections that take into account cascade effects and M-lines, as well as revised line energies, atomic level widths, Compton broadening profiles etc. A full overview of the complete application programming interface is presented. 相似文献
160.
A major research field in mechanistic systems biology is represented by the development of methods for investigating the structural and dynamic features of systems with multiple interacting components, in order to understand their function. A combination of NMR techniques can be used in such respect, among which the employment of paramagnetic metal ions, 13C direct detection, and solid-state NMR, possibly supported by other techniques like small angle X-ray scattering. Among the results, the information on the conformational heterogeneity experienced by multicomponent systems in solution can be mentioned. The structural and functional characterization of large biological systems, not affordable with standard solution NMR techniques, can be tackled through a synergistic use of solution and MAS solid-state NMR. 13C direct detection NMR spectroscopy is on the other hand advantageous for improving the quality and quantity of observed nuclear signals, for their intrinsically smaller linewidths and larger signal breadth. Details on these approaches are reviewed here. 相似文献