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131.
Using the Wigner-Kirkwood expansion and bare Lennard-Jones (LJ) (12-6) potential, an effectiveLJ potential is derived, which includes the quantum effects through the expressions of the effective diameter∂(T, λ) and well-depth
(T, λ). We use theWCA perturbation theory to calculate the free energy and pressure for theLJ and effectiveLJ potentials. Simple analytic expressions are given for the reference system and the first order correction calculated. The
results are quite good at high density. The quantum effects on the free energy and pressure are also discussed. 相似文献
132.
133.
K. Nagarajan M. Bhupathy Rajendra Prasad Ziley Singh V. Venugopal D.D. Sood 《Thermochimica Acta》1980,36(1):85-89
The thermal decomposition kinetics of Pr2(SO4)3 to Pr2O2SO4 have been studied by isothermal weight change determination. The reaction was found to obey a linear law up to α = 0.5; beyond α = 0.5 it could be described as a phase-boundary controlled process. A dependence of the activation energy upon the sample weight was observed. The changes in surface area and density which occur during the decomposition are also given. 相似文献
134.
Summary A series of square planar complexes of the type [PdX2L2] where X=Cl, Br, I; L=telluracyclopentane (tcp), telluracyclohexane (tch) or benzotelluracyclopentane (btp) have been synthesised. The complexes were characterised by far-i.r., n.m.r. and u.v.-vis. spectroscopy. The data implytrans-geometries except for the complex [PdCl2(tch)2] where a mixture ofcis- andtrans-isomers is obtained. 相似文献
135.
A study of the fragmentation of l-methyl-3-(2-benzothiazolylhydrazono)-2-indolinones on electron impact reveals that the major processes involve N? N bond fission and the competing loss of CO from the molecular ion. 相似文献
136.
The technique of three-phase partitioning (TPP) was used to purify the green fluorescent protein (GFP) in a single step. TPP uses a combination of ammonium sulphate and tert-butanol to precipitate proteins from their crude extracts. In the first round of TPP with 20% ammonium sulphate saturation at the ratio of crude to tert-butanol 1:1 (v/v), most of the GFP remains in the lower aqueous phase. When subjected to a second round of TPP with 60% ammonium sulphate saturation at the ratio of crude to tert-butanol 1:2 (v/v) gives 78% recovery of GFP with a 20-fold purification. The sodium dodecyl sulphate-polyacrylamide gel electrophoretic (SDS-PAGE) analysis of purified preparation shows single band. The fluorescence excitation and emission spectra agreed with values reported in literature. 相似文献
137.
138.
A.?H.?Naik N.?V.?Thakkar S.?R.?DharwadkarEmail author K.?D.?Singh Mudher V.?Venugopal 《Journal of Thermal Analysis and Calorimetry》2004,78(3):707-713
Sodium zirconium phosphate [NaZr2P3O12], a potential ceramic matrix for fixation of high level nuclear waste, was synthesized by heating the mixture of sodium carbonate [Na2CO3], zirconyl nitrate hydrate [ZrO(NO3)2·5H2O] and ammonium dihydrogen phosphate [NH4H2PO4] in air, in a resistance heated furnace and a microwave heating system respectively in the temperature range 450 to 650°C. The mixture heated for 1 h in a resistance furnace at 450°C yielded a poorly crystalline NaZr2P3O12 [NZP]. Increasing the temperature to 650°C produced a highly crystalline product. The same mixture heated in a microwave oven at 450°C for 1 h however, yielded the most crystalline NZP.In an alternate method, the mixture of sodium dihydrogen phosphate (NaH2PO4), zirconium dioxide (ZrO2) and diammonium hydrogen phosphate [(NH4)2HPO4] heated in resistance furnace at 650°C for the same period did not react in air. It also did not yield the pure product at 450°C when heated in microwave assembly for 1 h.The authors thank the Board of Research in Nuclear Sciences (BRNS) of the Department of Atomic Energy (DAE) for the financial support for this work under the project No. 2000/37/19/BRNS/1959 dtd09-02-02. 相似文献
139.
Surface tension measurements can be used to investigate molecular complex formation in liquid solutions for strong and weak
complexes. The association constant and epthalpy for triethylamine-iodine, hexamethylbenzene-tetracyanoethylene and ethanol-iodine
in cyclohexane are 4·55×103, 218 and 0.93M−1 at 25° C and 12·5, 7·7 and 5·1 kcal/mol respectively. These values compare well with those reported in the literature by
other methods. 相似文献
140.
The article reviews in brief, thede novo group additivity approach and, at length, the different topological approaches to obtain predictive and internally consistent
correlations between various properties and structural features of molecules. The stress has mainly been on the molecular
connectivity method. A new rational scheme for nomenclature of connectivity indices of different orders and types is introduced.
The concept of the perturbation connectivity parameter developed by us recently has been applied to obtain correlations for
molar refraction, boiling point, molar volume, heat of atomisation, heat of combustion, heat of vaporisation, magnetic susceptibility
and critical constants of alkanes, alcohols and alkylbenzenes. A comparative study of various approaches reveals that the
present perturbation topological approach has an edge over other similar methods. 相似文献