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41.
Experimental Design in Nonlinear Case Applied to Hydrocracking Model: How Many Points Do We Need and Which Ones? 下载免费PDF全文
In this work, different experimental design techniques were applied to a hydrocracking conversion model (single response). The selection of points was carried out using Federov's algorithm from an experimental database containing 48 points. The sequential design methodology was also applied. Results show that the D‐optimality criterion can provide valuable information for determination of the minimum number of experiments required to achieve acceptable precision. It is shown that only 22 points are enough to estimate parameters instead of the original database of 48 points. If sequential techniques are used, only 13 points are needed. This work provides useful theoretical and practical guidelines for experimental design in single‐response problems. 相似文献
42.
Nitrogen adsorption at 77 K on metal–organic framework (MOF) is investigated by means of molecular simulations. We consider both regular Cu–BTC crystal and a MOF-based hierarchical porous solid consisting of a mesopore carved out of a Cu–BTC crystal. The t-plot method is applied to these solids by using a non-porous Cu–BTC surface as the reference sample. The values of the mesoporous and external surface areas are determined from the t-plot, and the validity of the method for this type of hierarchical solid is discussed. 相似文献
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All the elastic stiffness constants of thiourea have been measured at room temperature. The value of C66(0.7 × 1010dynes/cm2) is very low. The C11 and C33 constants exhibit discontinuities at 169 and 202 K. The longitudinal acoustic phonons propagating in the c direction are very strongly damped in the vicinity of 202 K. 相似文献
45.
Fielicke A von Helden G Meijer G Simard B Rayner DM 《The journal of physical chemistry. B》2005,109(50):23935-23940
We report the vibrational spectra of the carbonyl complexes of anionic gold clusters in the range of the CO stretching frequency as measured in the gas phase using IR multiple photon dissociation spectroscopy. The investigated complexes contain between 3 and 14 Au atoms and up to 7 CO ligands. Special attention is given to the complexes that exhibit saturation CO coverage as well as to the monocarbonyl species. In conjunction with data from the corresponding cationic complexes we quantify how the CO stretching frequency varies with the charge state of the gold cluster. Our results provide a size- and charge-dependent basis to interpret values of the CO stretching frequency measured for CO on deposited gold clusters in terms of the charge states of the clusters. 相似文献
46.
Sauviat MP Benoit AG Debitus C Pouny I Laurent D 《Photochemistry and photobiology》2001,74(2):115-119
The effects of gymnochrome A were tested on the electrical activity of the frog atrial heart muscle. Gymnochrome A (1-5 microM) did not alter the resting potential. Gymnochrome A (5 microM) slowed the initial depolarizing phase of the spontaneously beating action potential. Under voltage-clamp conditions gymnochrome A (5 microM) did not affect the electrical constant of the membrane and the kinetic parameters of the peak Na+ current (INa) recorded in the Ringer solution containing tetraethylammonium (2 mM) and Cd2+ (1 mM) but shifted the membrane potential at which the current both activated and reached its maximal value toward more negative membrane potentials. It did not alter the reversal potential for INa, indicating that the selectivity of the Na+ channels had not changed. These observations suggest that gymnochrome A binds to the membrane and shifts the activation of INa on the voltage axis by modifying the free negative fixed charges present at the membrane surface rather than by occupying a specific site on the Na+ channel. Photoexcited gymnochrome A transiently triggered an early outward current which lengthened the time-to-peak of INa and decreased its amplitude. In addition, photoexcited gymnochrome A blocked the background K+ current. This is, to our knowledge, the first time that such effects are reported on the cardiac muscle. These observations suggest that the photoexcitation of gymnochrome produces physico-chemical effects which lead to intracellular changes. Further experiments are required to determine their nature. 相似文献
47.
Ramaz Botchorishvili Benoit Perthame Alexis Vasseur. 《Mathematics of Computation》2003,72(241):131-157
We consider a simple model case of stiff source terms in hyperbolic conservation laws, namely, the case of scalar conservation laws with a zeroth order source with low regularity. It is well known that a direct treatment of the source term by finite volume schemes gives unsatisfactory results for both the reduced CFL condition and refined meshes required because of the lack of accuracy on equilibrium states. The source term should be taken into account in the upwinding and discretized at the nodes of the grid. In order to solve numerically the problem, we introduce a so-called equilibrium schemes with the properties that (i) the maximum principle holds true; (ii) discrete entropy inequalities are satisfied; (iii) steady state solutions of the problem are maintained. One of the difficulties in studying the convergence is that there are no estimates for this problem. We therefore introduce a kinetic interpretation of upwinding taking into account the source terms. Based on the kinetic formulation we give a new convergence proof that only uses property (ii) in order to ensure desired compactness framework for a family of approximate solutions and that relies on minimal assumptions. The computational efficiency of our equilibrium schemes is demonstrated by numerical tests that show that, in comparison with an usual upwind scheme, the corresponding equilibrium version is far more accurate. Furthermore, numerical computations show that equilibrium schemes enable us to treat efficiently the sources with singularities and oscillating coefficients.
48.
Labiche M Orr NA Marqués FM Angélique JC Axelsson L Benoit B Bergmann UC Borge MJ Catford WN Chappell SP Clarke NM Costa G Curtis N D'Arrigo A de Góes Brennand E Dorvaux O Fazio G Freer M Fulton BR Giardina G Grévy S Guillemaud-Mueller D Hanappe F Heusch B Jones KL Jonson B Le Brun C Leenhardt S Lewitowicz M Lopez MJ Markenroth K Mueller AC Nilsson T Ninane A Nyman G de Oliveira F Piqueras I Riisager K Saint Laurent MG Sarazin F Singer SM Sorlin O Stuttgé L 《Physical review letters》2001,86(4):600-603
The two-neutron halo nucleus (14)Be has been investigated in a kinematically complete measurement of the fragments ((12)Be and neutrons) produced in dissociation at 35 MeV/nucleon on C and Pb targets. Two-neutron removal cross sections, neutron angular distributions, and invariant mass spectra were measured, and the contributions from electromagnetic dissociation (EMD) were deduced. Comparison with three-body model calculations suggests that the halo wave function contains a large nu(2s(1/2))(2) admixture. The EMD invariant mass spectrum exhibited enhanced strength near threshold consistent with a nonresonant soft-dipole excitation. 相似文献
49.
We have studied experimentally the rheological behavior of concentrated suspensions of soft deformable microgels below the yield point. We have found history-dependent effects which are interpreted in terms of aging and rejuvenation phenomena, analogous to those existing in glassy systems. The stress amplitude controls the long-time memory and determines the slow evolution of the suspensions. 相似文献
50.