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761.
Saugata KonarAtanu Jana Kinsuk DasSangita Ray Sudipta ChatterjeeJames A. Golen Arnold L. RheingoldSusanta Kumar Kar 《Polyhedron》2011,30(17):2801-2808
Varying coordination modes of the Schiff base ligand H2L [5-methyl-1-H-pyrazole-3-carboxylic acid (1-pyridin-2-yl-ethylidene)-hydrazide] towards different metal centers are reported with the syntheses and characterization of four mononuclear Mn(II), Co(II), Cd(II) and Zn(II) complexes, [Mn(H2L)(H2O)2](ClO4)2(MeOH) (1), [Co(H2L)(NCS)2] (2), [Cd(H2L)(H2O)2](ClO4)2 (3) and [Zn(H2L)(H2O)2](ClO4)2 (4), and a binuclear Cu(II) complex, [Cu2(L)2](ClO4)2 (5). In the complexes 1-4 the neutral ligand serves as a 3N,2O donor where the pyridine ring N, two azomethine N and two carbohydrazine oxygen atoms are coordinatively active, leaving the pyrazole-N atoms inactive. In the case of complex 5, each ligand molecule behaves as a 4N,O donor utilizing the pyridine N, one azomethine N, the nitrogen atom proximal to the azomethine of the remaining pendant arm and one pyrazole-N atom to one metal center and the carbohydrazide oxygen atom to the second metal center. The complexes 1-4 are pentagonal bipyramidal in geometry. In each case, the ligand molecule spans the equatorial plane while the apical positions are occupied by water molecules in 1, 3 and 4 and two N bonded thiocyanate ions in 2. In complex 5, the two Cu(II) centers have almost square pyramidal geometry (τ = 0.05 for Cu1 and 0.013 for Cu2). Four N atoms from a ligand molecule form the basal plane and the carbohydrazide oxygen atom of a second ligand molecule sits in the apex of the square pyramid. All the complexes have been X-ray crystallographically characterized. The Zn(II) and Cd(II) complexes show considerable fluorescence emission while the remaining complexes and the ligand molecule are fluorescent silent. 相似文献
762.
Kar M Pauline M Sharma K Kumaraswamy G Gupta SS 《Langmuir : the ACS journal of surfaces and colloids》2011,27(19):12124-12133
Polypeptide-coated silica nanoparticles represent an interesting class of organic-inorganic hybrids since the ordered secondary structure of the polypeptide grafts imparts functional properties to these nanoparticles. The synthesis of a poly-l-glutamic acid (PLGA) silica nanoparticle hybrid by employing N-carboxyanhydride (NCA) polymerization to synthesize the polypeptide chains and Cu catalyzed azide alkyne cycloaddition reaction to graft these chains onto the silica surface is reported. This methodology enables the synthesis of well-defined polypeptide chains that are attached onto the silica surface at high surface densities. The PLGA-silica conjugate particles are well dispersed in water, and have been thoroughly characterized using multinuclear ((13)C, (29)Si) solid state NMR, thermogravimetric analysis, Fourier transform infrared, dynamic light scattering, and transmission electron microscopy. The pH-dependent reversible aggregation of the PLGA-silica particles, driven by the change in PLGA structure, has also been studied. Preliminary results on the use of aqueous dispersions of silica-PLGA for the preparation of three-dimensional macroporous structures with oriented pores by ice templating methodology are also demonstrated. These macroporous materials, comprising a biocompatible polymer shell covalently attached to rigid inorganic cores, adopts an interesting lamellar structure with fishbone-type architecture. 相似文献
763.
L. I. Yakovenkova L. E. Kar’kina O. A. Elkina 《Bulletin of the Russian Academy of Sciences: Physics》2011,75(5):650-652
An electron microscopic analysis of the dislocation structure of two-phase α2/β Ti-21.4 at % Al-5.6 at % Nb alloy deformed at ambient temperature was performed. It was established that after deformation,
the microstructure of the α2 phase consists of mobile a-superdislocations in the basal and prism planes and of 2c + a-superdislocations in the pyramidal planes. Some dislocations with the Burgers vector [0001] in the prism planes were also
observed. Deformation transfer from the α2 to the β phase occurs only due to a-super-dislocations with a Burgers vector corresponding to the Burgers orientation relations between these phases. The reasons
for the increase in plasticity in two-phase Ti3Al with Nb alloys are discussed. 相似文献
764.
We analyse the origin of the multiple long time scales associated with the long time decay observed in non-polar solvation
dynamics by linear stability analysis of solvent density modes where the effects of compressibility and solvent structure
are systematically incorporated. The coupling of the solute-solvent interactions at both ground and excited states of the
solute with the compressibility and solvent structure is found to have important effects on the time scales. The present theory
suggests that the relatively longer time constant is controlled by the solvent compressibility, while the solvent structure
at the nearest-neighbour length scale dominates the shorter time constant.
相似文献
765.
Abhijit Kar Gupta 《Physica A》2008,387(27):6819-6824
We examine the concept of relaxation in the wealth exchange models that are recently proposed in econophysics to interpret wealth distributions. To quantify and characterize the process of relaxation, we define an appropriate quantity and evaluate that numerically for the systems of many agents. Also, heuristic arguments are provided in support of some numerical results. 相似文献
766.
Transmission electron microscopy was used to examine the dislocation structure of intermetallic Ti3Al subjected to deformation at tempertures T = 1073–1273 K. The microstructure of samples subjected to high-temperature deformation is established to contain mobile superdislocations of a and 2c + a types, and single dislocations with Burgers vector [0001] are also observed on the prismatic planes. Possible models of destruction of barriers associated with 2c + a superdislocations on the pyramidal planes are discussed using the results of computer simulations of the structure of a superdislocation core in in Ti3Al. 相似文献
767.
768.
Bibhuti Bhusan Champati Bhuban Mohan Padhiari Asit Ray Tarun Halder Sudipta Jena Ambika Sahoo Basudeba Kar Pradeep Kumar Kamila Pratap Chandra Panda Biswajit Ghosh Sanghamitra Nayak 《Molecules (Basel, Switzerland)》2022,27(9)
Andrographolide, the principal secondary metabolite of Andrographis paniculata, displays a wide spectrum of medicinal activities. The content of andrographolide varies significantly in the species collected from different geographical regions. Therefore, this study aims at investigating the role of different abiotic factors and selecting suitable sites for the cultivation of A. paniculata with high andrographolide content using a multilayer perceptron artificial neural network (MLP-ANN) approach. A total of 150 accessions of A. paniculata collected from different regions of Odisha and West Bengal in eastern India showed a variation in andrographolide content in the range of 0.28–5.45% on a dry weight basis. The MLP-ANN was trained using climatic factors and soil nutrients as the input layer and the andrographolide content as the output layer. The best topological ANN architecture, consisting of 14 input neurons, 12 hidden neurons, and 1 output neuron, could predict the andrographolide content with 90% accuracy. The developed ANN model showed good predictive performance with a correlation coefficient (R2) of 0.9716 and a root-mean-square error (RMSE) of 0.18. The global sensitivity analysis revealed nitrogen followed by phosphorus and potassium as the predominant input variables influencing the andrographolide content. The andrographolide content could be increased from 3.38% to 4.90% by optimizing these sensitive factors. The result showed that the ANN approach is reliable for the prediction of suitable sites for the optimum andrographolide yield in A. paniculata. 相似文献
769.
The effects of discontinuously time-varying perturbations on the dynamics of a particle moving in harmonic, symmetric double well and symmetric triple well potentials, are investigated both classically and quantum mechanically. The quantum dynamics is followed using the time-dependent Fourier grid Hamiltonian (TDFGH) method while the classical dynamics is analyzed within the framework of classical Hamiltonian mechanics. Depending on the spatial symmetry of the perturbation and the characteristic features of the reversal time , different types of ‘phase space’ structures are observed in each of the potentials. For symmetric double and triple well potentials, quantum dynamics reveals that complete destruction of tunnelling (CDT) can be achieved in the presence of a time-dependent spatially asymmetric perturbing field that is continuous in time. Any discontinuity in time-variation of the perturbation may induce over the barrier transition. The relevance of these results in the context of (i) tunnelling control and (ii) quantum computing with 3-state or 2-state quantum registers is briefly discussed. 相似文献
770.
A practical and efficient protocol for oxidative cleavage of olefinic bonds especially in arylated olefins has been demonstrated. Herein, an oxo[5,10,15-tris(4-nitrophenyl)corrolato]vanadium (IV) complex (cat.), has been successfully synthesized and the existence of two tautomeric forms of this complex in solution has been established. Oxo[5,10,15-tris(4-nitrophenyl)corrolato]vanadium (IV) (cat.) in the presence of H2O2 cleaves olefinic bonds to yield the corresponding aldehyde compounds. In general, a high valent, oxo-(porphyrinoid)-metal complex catalyzes the epoxide formation reactions, however, in the present case, we have observed the exclusive formation of aldehydes. The reaction offered aryl aldehydes with good yields and excellent selectivity. A mechanism was also proposed for these catalysis reactions. 相似文献