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71.
Electron spin resonance studies have been carried out on Cu2+ ion doped in single crystals of cadmium maleate dihydrate at 303 and 77K. It has been found that Cu2+ enters this lattice interstitially. The spin Hamiltonian parameters have been evaluated and the ground state wave function
is found to be predominantly |X
2 −Y
2〉 with a slight admixture of |3Z
2 −r
2〉. 相似文献
72.
Shukla R Bansal V Chaudhary M Basu A Bhonde RR Sastry M 《Langmuir : the ACS journal of surfaces and colloids》2005,21(23):10644-10654
Macrophages are one of the principal immune effector cells that play essential roles as secretory, phagocytic, and antigen-presenting cells in the immune system. In this study, we address the issue of cytotoxicity and immunogenic effects of gold nanoparticles on RAW264.7 macrophage cells. The cytotoxicity of gold nanoparticles has been correlated with a detailed study of their endocytotic uptake using various microscopy tools such as atomic force microscopy (AFM), confocal-laser-scanning microscopy (CFLSM), and transmission electron microscopy (TEM). Our findings suggest that Au(0) nanoparticles are not cytotoxic, reduce the production of reactive oxygen and nitrite species, and do not elicit secretion of proinflammatory cytokines TNF-alpha and IL1-beta, making them suitable candidates for nanomedicine. AFM measurements suggest that gold nanoparticles are internalized inside the cell via a mechanism involving pinocytosis, while CFLSM and TEM studies indicate their internalization in lysosomal bodies arranged in perinuclear fashion. Our studies thus underline the noncytotoxic, nonimmunogenic, and biocompatible properties of gold nanoparticles with the potential for application in nanoimmunology, nanomedicine, and nanobiotechnology. 相似文献
73.
Dinadayalane TC Gayatri G Sastry GN Leszczynski J 《The journal of physical chemistry. A》2005,109(41):9310-9323
Diene-dienophile competing Diels-Alder reaction pathways of cyclopentadiene, 1H-, 2H- and 3H-phospholes with butadiene were explored at the B3LYP level using 6-31G(d) and 6-311+G(d,p) basis sets, and at the CCSD(T)/6-31G(d)//B3LYP/6-31G(d) level. Activation barriers show that cyclopentadiene favors a diene rather than a dienophile conformation. Pathways 1 and 2 (A and B) corresponding to butadiene as the diene and dienophile are predicted to be highly competitive in the case of 1H-phosphole. Secondary orbital interactions and the preferable bispericyclic nature of transition states are responsible for the stability of endo transition states. The study indicates that some of the transition states are bispericyclic and most of them are highly asynchronous. The reactions require a lower activation energy when the conversion of weak C=P to C-P occurs in the case of 2H- and 3H-phospholes. The high stability of the products resulting via path 1 can be attributed to the less strain in the bicyclo[4.3.0]nonadiene skeleton compared to the norbornene derivatives obtained from path 2. Activation and reaction energy values for these Diels-Alder reaction pathways are compared with the values reported for the [4+2] cyclodimerizations of each of the reactants to examine the likelihood of cyclodimerizations along these pathways. 相似文献
74.
The anomalous magnetic moment of muon is calculated in anSU(3)×U(1) gauge model proposed by Gupta and Mani. We find the contribution due to the intermediate gauge bosons to be of the same
order of magnitude as in Weinberg. Salam model. The deep-inelastic structure functions are also analysed in the same model
and inequalities for the structure functions are obtained in the light-cone algebra approach. 相似文献
75.
An impurity mediated mechanism of photorefractive effect in BaTiO3 is proposed. The photoinduced changes in the relative concentration of Fe3+ in BaTiO3 results in an electro-optic coupling through a combination of the Sangster and piezoelectric effects. This is based on the
examination of the extensive results on the EPR of Fe3+ in the BaTiO3 lattice. This model explains the improved photorefractive behavior of BaTiO3 on doping with Co2+. 相似文献
76.
Electron paramagnetic resonance (EPR) evidence is presented for the radiation stabilization of pentavalent uranium in CaO
matrix. From the theoretical predictions ofg value for U5+ in axial symmetries, it was concluded that U5+ at Ca2+ site is associated with a second neighbour charge compensating Ca2+ vacancy. EPR measurements also revealed the presence of Mn2+, Mn4+ and Cu2+ impurities in the samples. The thermal stability of U5+ was investigated using EPR and thermally stimulated luminescence (TSL) techniques. The TSL and EPR studies on gamma irradiated
uranium doped calcium oxide samples had shown that the intense glow peak at 540 K is associated with the reduction in the
intensity of EPR signal of U5+ ion around this temperature. This peak is associated with the process U5++hole→U6+*→U6++hv. The activation energy for this process was determined to be 1.4eV. 相似文献
77.
78.
Kumar P Yan Z Xu L Mazza MG Buldyrev SV Chen SH Sastry S Stanley HE 《Physical review letters》2006,97(17):177802
Using molecular dynamics simulations, we investigate the relation between the dynamic transitions of biomolecules (lysozyme and DNA) and the dynamic and thermodynamic properties of hydration water. We find that the dynamic transition of the macromolecules, sometimes called a "protein glass transition," occurs at the temperature of dynamic crossover in the diffusivity of hydration water and also coincides with the maxima of the isobaric specific heat C_{P} and the temperature derivative of the orientational order parameter. We relate these findings to the hypothesis of a liquid-liquid critical point in water. Our simulations are consistent with the possibility that the protein glass transition results from crossing the Widom line, which is defined as the locus of correlation length maxima emanating from the hypothesized second critical point of water. 相似文献
79.
Quantum chemistry calculations reveal that the subtle pi-pi interactions, usually in the range 2-4 kcal/mol, will become substantially significant, from 6 to 17 kcal/mol, in the presence of metal ion. The metal ions have higher affinity toward a pi-pi dimer compared to a single pi-moiety. Considering the widespread occurrence of cation-pi-pi motifs in chemistry and biology, as evident from the database analysis, we propose that the two key noncovalent forces, which govern the macromolecular structure, cation-pi and pi-pi, work in concert. 相似文献
80.