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排序方式: 共有139条查询结果,搜索用时 15 毫秒
41.
Alves GA Amato S Anjos JC Appel JA Astorga J Bernard T Bracker SB Cremaldi LM Darling CL Dixon RL Errede D Gay C Green DR Jedicke R Karchin PE Kwan S Lueking LJ de Mello Neto JR Metheny J Milburn RH de Miranda JM da Motta Filho H Napier A Passmore D Rafatian A dos Reis AC Ross WR Santoro AF Sheaff M Souza MH Spalding WJ Stoughton C Streetman ME Summers DJ Takach SF Wallace A Wu Z 《Physical review letters》1994,72(6):812-815
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In this paper a numerical inversion method for Laplace transforms, based on a Fourier series expansion developed by Durbin [5], is presented. The disadvantage of the inversion methods of that type, the encountered dependence of discretization and truncation error on the free parameters, is removed by the simultaneous application of a procedure for the reduction of the discretization error, a method for accelerating the convergence of the Fourier series and a procedure that computes approximately the ‘best’ choice of the free parameters. Suitable for a given problem, the inversion method allows the adequate application of these procedures. Therefore, in a big range of applications a high accuracy can be achieved with only a few function evaluations of the Laplace transform. The inversion method is implemented as a FORTRAN subroutine. 相似文献
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van Almsick M Dolhaine H Honig H 《Journal of chemical information and computer sciences》2000,40(4):956-966
In this paper we describe numeric as well as symbolic algorithms for the enumeration of substitutional isomers with an unlimited number of different achiral substituents. We consider three different scenarios: first, the enumeration of diamutamers with a given set of ligand types and ligand multiplicity, second, the enumeration of diamutamer libraries with a given ligand assortment pattern, and, third, the enumerations of libraries with diamutamers exhibiting a limited number of ligands. 相似文献
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We characterize the non-Ohmic portion of the conductivity at temperatures T<1 K in the highly correlated transition metal chalcogenide Ni(S,Se)(2). Pressure tuning of the T = 0 metal-insulator transition reveals the influence of the quantum critical point and permits a direct determination of the dynamical critical exponent z = 2.7(+0.3)(-0.4). Within the framework of finite temperature scaling, we find that the spatial correlation length exponent nu and the conductivity exponent &mgr; differ. 相似文献
48.
Interplay between orbital and magnetic long range order by resonant X-ray scattering in (V1−xCrx)2O3
L. Paolasini S. Di Matteo C. Vettier F. de Bergevin A. Sollier W. Neubeck F. Yakhou P. A. Metcalf J. M. Honig 《Journal of Electron Spectroscopy and Related Phenomena》2001,120(1-3):1-10
Resonant X-ray scattering experiments have been performed in 2.8% Cr-doped V2O3 single crystal at the Vanadium K-photoabsorption edge. Using linear polarization analysis and comparing the angular dependence of scattered photons with structure factor calculations we can discriminate the nature of the different resonant X-ray processes involved in forbidden lattice reflections enhanced by resonances. We present an experimental method to extract information on local properties of edge-atom such as the anisotropy of the local atomic environment, the atomic magnetic moment orientation and orbital ordering. 相似文献
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J. A. J. Honig R. P. Burford R. P. Chaplin 《Journal of polymer science. Part A, Polymer chemistry》1983,21(8):2559-2571
The effect of reaction conditions on conversion and molecular weight in the polymerization of butadiene initiated by cobalt octoate/diethylaluminum chloride/water was studied. The polymerization exhibited complex kinetics with respect to cobalt concentration. The molecular weight, as a function of conversion, was investigated. Chain transfer to aluminum alkyl was of only minor importance. 相似文献