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61.
The spherical-model limitn of then-vector model in a random field, with either a statistically independent distribution or with long-range correlated random fields, is studied to demonstrate the correctness of the replica method in which then and replica limits limits are interchanged, provided the replica and thermodynamic limits are taken in the right order, in the case of long-range correlated random fields. A scaling form for the two-point correlation function relevant to the first-order phase transition below the lower critical dimensionality of the random system is also obtained. 相似文献
62.
Javad Mostaghimi Pierre Proulx Maher I. Boulos 《Plasma Chemistry and Plasma Processing》1984,4(3):199-217
A theoretical investigation of the effect of different parameters on the flow and the temperature fields in a radiofrequency
inductively coupled plasma is carried out. The parameters studied are: central injection gas flow rate, total gas flow rate,
input power, and the type of plasma gas. The results obtained for argon and nitrogen plasmas at atmospheric pressure indicate
that the flow and the temperature fields in the coil region, as well as the heat flux to the wall of the plasma confinement
tube, are considerably altered by the changes in the torch operating conditions. 相似文献
63.
Milton Medeiros 《Theoretical chemistry accounts》2005,113(3):178-182
An early rejection scheme for trial moves in adiabatic nuclear and electronic sampling Monte Carlo simulation (ANES-MC) of polarizable intermolecular potential models is presented. The proposed algorithm is based on Swendsen–Wang filter functions for prediction of success or failure of trial moves in Monte Carlo simulations. The goal was to reduce the amount of calculations involved in ANES-MC electronic moves, by foreseeing the success of an attempt before making those moves. The new method was employed in Gibbs ensemble Monte Carlo (GEMC) simulations of the polarizable simple point charge-fluctuating charge (SPC-FQ) model of water. The overall improvement in GEMC depends on the number of swap attempts (transfer molecules between phases) in one Monte Carlo cycle. The proposed method allows this number to increase, enhancing the chemical potential equalization. For a system with 300 SPC-FQ water molecules, for example, the fractions of early rejected transfers were about 0.9998 and 0.9994 at 373 and 423 K, respectively. This means that the transfer moves consume only a very small part of the overall computing effort, making GEMC almost equivalent to a simulation in the canonical ensemble. 相似文献
64.
Godehard Sutmann 《Journal of Electroanalytical Chemistry》1998,450(2):1946
We have performed molecular dynamics computer simulations of water in homogeneous external electric fields which were varied in a wide range of field strengths. The dielectric response is found to be linear up to fields E0≈0.01 V/Å from where dielectric saturation effects become important. At fields of E0≈3 V/Å a phase transition into an ordered, ice-like structure is observed, which is stabilized through hydrogen-bonds. With an increasing external electric field, the frequency spectrum of the water dynamics shows a remarkable red shift of the intramolecular modes and a blue shift of the librational motions, where the frequency varies quadratically with the field strength. A simple analytical model is discussed which reproduces the observed behavior. 相似文献
65.
Ben Salem Nejib 《Journal of Theoretical Probability》1994,7(2):417-436
We consider hypergroups associated with Jacobi functions
()
(x), (–1/2). We prove the existence of a dual convolution structure on [0,+[i(]0,s
0]{{) =++1,s
0=min(,–+1). Next we establish a Lévy-Khintchine type formula which permits to characterize the semigroup and the infinitely divisible probabilities associated with this dual convolution, finally we prove a central limit theorem. 相似文献
66.
It is known that at the critical temperature the Curie-Weiss mean-field model has non-Gaussian fluctuations and that internal fluctuations can be Gaussian. Here we compute the distribution of theq-mode magnetization fluctuations as a function of the temperature, the wave vectorq, and a fading out external field. We obtain new classes of probability distributions generated by this external field as well as new critical behavior in terms of its rate of fading out. We discuss also the susceptibility as the limitq tending to zero. 相似文献
67.
Detlev W. Hoffmann 《Transactions of the American Mathematical Society》1996,348(8):3267-3281
Let and be anisotropic quadratic forms over a field of characteristic not . Their function fields and are said to be equivalent (over ) if and are isotropic. We consider the case where and is divisible by an -fold Pfister form. We determine those forms for which becomes isotropic over if , and provide partial results for . These results imply that if and are equivalent and , then is similar to over . This together with already known results yields that if is of height and degree or , and if , then and are equivalent iff and are isomorphic over .
68.
69.
The force fields, in-plane vibrations, and relative intensities of Raman spectra have been calculated and analyzed for the N1H and N3H tautomers of imidazole, imidazolium cation, and their model structures. The results obtained for the isolated state of imidazole correspond to the intramolecular mechanism of proton transfer. 相似文献
70.
A straightforward discussion on how to generate molecular fields is developed within the postulates of quantum mechanics. The theoretical formalism points towards the generalization and extension of the well-known molecular field forms, associated to density function and electrostatic molecular potential (EMP), including another category of fields associated to quantum molecular similarity measures. The results show that the new formalism can be easily applied to obtain an unlimited number of new information about molecular behavior. 相似文献