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991.
Abstract The viscosity dependence of the isomerization process with comparatively low potential barrier was studied as a model of one-dimensional barrier crossing. We found that the ground-state isomerization of DODCI fails to fit the Kramers equation. We analyzed this non-Kramers behavior by means of an approach of frequency dependent friction. 相似文献
992.
In this paper, an in‐depth study of SPH method, in its original weakly compressible version, is achieved on dedicated 2D and 3D free‐surface flow test cases. These rather critical prototype problems shall constitute suitable test cases to get through when building a free‐surface SPH model. The present work aims at investigating various numerical aspects of this method, often little mentioned in literature. In particular, a great care is paid to the dynamic part of the solution, which is critical to the local hydrodynamic load prediction. The role of numerical errors in the development of acoustic frequencies in the pressure signals is discussed, as well as the influence of the choice of the sound velocity. On the shown test problems, it is also evidenced that some numerical tools are crucial to ensure the robustness and accuracy of the standard SPH method. The convergence of our model is heuristically proved on these nonlinear prototype tests, showing at the same time the very satisfactory level of accuracy reached. Through these tests, some other numerical specificities of the SPH method are discussed, such as the self‐redistribution of the particles occurring during the Lagrangian evolution. A higher order model is also proposed, and its advantages and drawbacks are discussed. Copyright © 2013 John Wiley & Sons, Ltd. 相似文献
993.
It is possible to describe the pressure degradation of microorganisms as being analogous to thermal inactivation. Equation for baroinactivation is derived from thermal death time (TDT) model D p = D pref 10(pref-p)/z p , where D pref is decimal reduction time at the reference pressure (min), p ref is the reference pressure (MPa), z p is the pressure increase (MPa) required to reduce the D p value by a factor of 10. This method was used for the calculation of baroinactivation model parameters of the total number of microorganisms of pressurized germinated mung bean (green gram) seeds (Vigna radiata (L.) Wilczek). Microbial contamination of germinated mung bean (green gram) seeds can be effectively decreased by treatment at a high pressure of 400 MPa, time of pressurization 5 min. 相似文献
994.
Abstract By use of neutron small-angle scattering (SANS) the structural properties of saturated and unsaturated phosphatidylcholine model biomembrane systems have been investigated in the temperature range from 0°C to 70°C and at pressures up to 3.5 kbar. The effect of chemical constitution of the hydrocarbon chains of the lipids and the effect of cholesterol on the thermotropic and barotropic phase behaviour is discussed. 相似文献
995.
Abstract The DAC X-ray power photograph method was employed for studing the phase transition of samarium up to 26.3 GPa. The experimental results show that the dhcp and fcc high pressure phase of Sm appeared at about 4.0 and 12.5 GPa and room temperature respectively. The dhcp phase was kept until 19.6 GPa. A model for Sm-type -? dhcp -? fcc phase transition is provided in this paper. 相似文献
996.
G. Demazeau 《高压研究》2013,33(1-6):656-659
Abstract In inorganic chemistry High Pressures can act as thermodynamic parameter and through the compression effect. Such effects can help the synthesis of new materials or induce specific properties. Such High Pressures studies are a great help for a better understanding of the chemical bonding and in field of resarches aimed at applications. 相似文献
997.
Humberto Hinojosa-GómezAuthor Vitae J. Fernando Barragán-ArocheEnrique R. Bazúa-RuedaAuthor Vitae 《Fluid Phase Equilibria》2010
In this work we present two modifications to the Peng–Robinson-Fitted equation of state where pure component parameters are regressed to vapor pressure and saturated liquid density data. The first modification (PR-f-mod) is a method that enhances the equation of state pure component property predictions through simple temperature dependent pure component parameters. In the second modification (PR-f-prop) we propose a temperature dependency for co-volume b in the repulsive parameter of the EoS, and revise the temperature function in the attractive term. The agreement with experimental data for 72 pure substances, including highly polar compounds, is remarkably good. We obtain average absolute deviations in saturated liquid density of less than 1% for all substances studied. 相似文献
998.
A new apparatus based on a synthetic method was developed for phase equilibrium measurements. The characteristic features of the apparatus are its light weight (ca. 288 g), variable-volume with a free piston, position sensing device for the piston, precise pressure and temperature control, and a window for visual observation. The inner volume of the cell can vary from 2.5 to 8.8 cm3. The cell was constructed from titanium so that the composition of the sample can be determined by direct weighing of the cell. The apparatus was designed for temperatures up to 473 K and pressures up to 25 MPa. 相似文献
999.
Carola J. Müller Ulrich Schwarz Peer Schmidt Walter Schnelle Thomas Doert 《无机化学与普通化学杂志》2010,636(6):947-953
Gadolinium disulfide was prepared by high‐pressure synthesis at 8 GPa and 1173 K. It crystallizes in the monoclinic space group P121/a1 (No. 14) with lattice parameters a = 7.879(1) Å; b = 3.936(1) Å, c = 7.926(1) Å and β = 90.08(1)°. The crystal structure is a twofold superstructure of the aristotype ZrSSi and consists of puckered cationic [GdS]+ double slabs that are sandwiched by planar sulfur sheets containing S22– dumbbells. The thermal decomposition of GdS2 proceeds via the sulfur‐deficient polysulfides GdS1.9, GdS1.85 and GdS1.77 and eventually results in the sesquisulfide Gd2S3. GdS2 is a paramagnetic semiconductor which orders antiferromagnetically at TN = 7.7(1) K. A metamagnetic transition is observed in the magnetically ordered state. 相似文献
1000.
Makoto Obata Noriko Matsuura Kazunori Mitsuo Hiroki Nagai Keisuke Asai Masafumi Harada Shiho Hirohara Masao Tanihara Shigenobu Yano 《Journal of polymer science. Part A, Polymer chemistry》2010,48(3):663-670
A novel methacrylate monomer bearing 5,10,15,20‐tetraphenylporphyrinato palladium(II) (PdTPP) (monomer 1a ) was synthesized and copolymerized with isobutyl methacrylate (IBM) and 2,2,2‐trifluoroethyl methacrylate (TFEM) to give poly (IBM‐co‐TFEM) bearing PdTPP (copolymer 2a ) as a dye‐conjugated oxygen‐permeable polymer for pressure‐sensitive paint applications. The introduction of PdTPP into copolymer 2a was confirmed by UV–vis spectroscopy and extended X‐ray absorption fine structure analysis. The Stern–Volmer plots of the copolymer 2a and a mixture of PdTPP and poly(IBM‐co‐TFEM) both showed downward curvature, unlike that of the platinum complex analogue (copolymer 2b ) previously reported. The plots were successfully fitted with a two‐site model to give two distinct Stern–Volmer constants (KSV1 and KSV2) and the partition ratio f1. Interestingly, the f1 values for the copolymer 2a were almost constant at about 0.98, whereas those of the mixture of PdTPP and poly(IBM‐co‐TFEM) increased from 0.889 to 0.967 as the temperature was increased. This finding suggests that there are two distinct microheterogeneities, one temperature‐dependent and the other temperature‐independent, in the mixture of PdTPP and poly(IBM‐co‐TFEM). The dye‐conjugation approach effectively eliminates the temperature‐dependent, but not the temperature‐independent microheterogeneity. The luminescence decays of copolymers 2a and 2b and the corresponding mixtures in the absence of oxygen indicated that the temperature‐dependent microheterogeneity involves an oxygen diffusion process, whereas the temperature‐independent one appears to be inherent nature in PdTPP. © 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 48: 663–670, 2010 相似文献