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81.
We report here high-pressure x-ray diffraction (XRD) studies on tellurium (Te) at room temperature up to 40 GPa in the diamond
anvil cell (DAC). The XRD measurements clearly indicate a sequence of pressure-induced phase transitions with increasing pressure.
The data obtained in the pressure range 1 bar to 40 GPa fit five different crystalline phases out of Te: hexagonal Te (I)
→ monoclinic Te(II) → orthorhombic Te (III) → Β-Po-type Te(IV) → body-centered-cubic Te(V) at 4, 6.2, 11 and 27 GPa, respectively. The volume changes across these transitions
are 10%, 1.5%, 0.3% and 0.5%, respectively.
Self consistent electronic band structure calculations both for ambient and high pressure phases have been carried out using
the tight binding linear muffin tin orbital (TB-LMTO) method within the atomic-sphere approximation (ASA). Reported here apart
from the energy band calculations are the density of states (DOS), Fermi energy (E
f) at various high-pressure phases. Our calculations show that the ambient pressure hexagonal phase has a band gap of 0.42
eV whereas high-pressure phases are found to be metallic. We also found that the pressure induced semiconducting to metallic
transition occurs at about 4 GPa which corresponds to the hexagonal phase to monoclinic phase transition. Equation of state
and bulk modulus of different high-pressure phases have also been discussed. 相似文献
82.
Abhijit Patil 《Optics Communications》2006,257(1):120-132
This paper proposes a subspace parameter estimation method which besides allowing for accommodating multiple PZTs in an optical interferometer permits for extracting in real time values of phase shifts between data frames at each pixel point. The technique enables to freely choose values of phase shifts between 0 and π. A generalized phase measurement algorithm allows for computing multiple phase information present in the interferometer. The method facilitates the use of spherical beams, addresses errors arising from the miscalibration of the phase shifting devices, and is capable of handling nonsinusoidal waveforms in an effective manner. Numerical simulations demonstrate that phase distributions can be measured with high accuracy even in the presence of noise. 相似文献
83.
We derive an expression relating the transport parameter q and the shear viscosity eta of a weakly coupled quark-gluon plasma. A deviation from this relation can be regarded as a quantitative measure of "strong coupling" of the medium. The ratio T{3}/q, where T is the temperature, is a more broadly valid measure of the coupling strength of the medium than eta/s, where s denotes the entropy density. Different estimates of q derived from existing Relativistic Heavy Ion Collider data are shown to imply radically different structures of the produced matter. 相似文献
84.
Sujoy Bandyopadhyay Rmi Mtivier Pragyan Pallavi Eduard Preis Keitaro Nakatani Katharina Landfester Abhijit Patra Ullrich Scherf 《Macromolecular rapid communications》2016,37(3):271-277
Conjugated polymer nanoparticles based on poly[9,9‐bis(2‐ethylhexyl)fluorene] and poly[N‐(2,4,6‐trimethylphenyl)‐N,N‐diphenylamine)‐4,4′‐diyl] are fabricated using anionic surfactant sodium dodecylsulphate in water by miniemulsion technique. Average diameters of polyfluorene and polytriarylamine nanoparticles range from 70 to 100 and 100 to 140 nm, respectively. The surface of the nanoparticles is decorated with triplet emitting dye, tris(2,2′‐bipyridyl)ruthenium(II) chloride. Intriguing photophysics of aqueous dispersions of these hybrid nanoparticles is investigated. Nearly 50% quenching of fluorescence is observed in the case of dye‐coated polyfluorene nanoparticles; excitation energy transfer is found to be the dominant quenching mechanism. On the other hand, nearly complete quenching of emission is noticed in polytriarylamine nanoparticle‐dye hybrids. It is proposed that the excited state electron transfer from the electron‐rich polytriarylamine donor polymer to Ru complex leads to the complete quenching of emission of polytriarylamine nanoparticles. The current study offers promising avenues for developing aqueous solution processed‐electroluminescent devices involving a conjugated polymer nanoparticle host and Ru or Ir‐based triplet emitting dye as the guest.
85.
The wall static pressure in the vicinity of drag reducing outer layer devices in flat wall turbulent boundary layers has been measured and compared with an inviscid theory. Symmetric and cambered airfoil devices have been examined at small angles of attack and very low chord Reynolds numbers. Airfoil devices impose a sequence of strong favorable and adverse pressure gradients on the boundary layer whose drag is to be reduced. At very small angles of attack (± 2°), this pressure field extends up to about three chord lengths downstream of the trailing edge of an airfoil device. Also examined are the pressures on the upper and lower surfaces of a symmetric airfoil device in the freestream and near the wall. The freestream pressure distribution around an airfoil section is altered by the wall proximity. The relevance of lift enhancement caused by wall proximity to drag reduction has been discussed. The pressure distributions on the flat wall beneath the symmetric airfoil devices are predicted well by the inviscid theory. However, the remaining pressure distributions are predicted only qualitatively, presumably because of strong viscous effects. 相似文献
86.
Prashar D Cui D Bandyopadhyay D Luk YY 《Langmuir : the ACS journal of surfaces and colloids》2011,27(21):13091-13096
This work describes a general approach for preventing protein aggregation and surface adsorption by modifying proteins with β-cyclodextrins (βCD) via an efficient water-driven ligation. As compared to native unmodified proteins, the cyclodextrin-modified proteins (lysozyme and RNase A) exhibit significant reduction in aggregation, surface adsorption and increase in thermal stability. These results reveal a new chemistry for preventing protein aggregation and surface adsorption that is likely of different mechanisms than that by modifying proteins with poly(ethylene glycol). 相似文献
87.
Mukherjee S Dan A Bhattacharya SC Panda AK Moulik SP 《Langmuir : the ACS journal of surfaces and colloids》2011,27(9):5222-5233
The physicochemistry of interaction of the cationic polymer poly(diallyldimethylammonium chloride) (PDADMAC) with the anionic surfactants sodium dodecyl sulfate, sodium dodecylbenzenesulfonate, and sodium N-dodecanoylsarcosinate was studied in detail using tensiometry, turbidimetry, calorimetry, viscometry, dynamic light scattering (DLS), and scanning electron microscopy (SEM). Fair interaction initially formed induced small micelles of the surfactants and later on produced free normal micelles in solution. The interaction process yielded coacervates that initially grew by aggregation in the aqueous medium and disintegrated into smaller species at higher surfactant concentration. The phenomena observed were affected by the presence of isopropyl alcohol (IP) in the medium. The hydrodynamic sizes of the dispersed polymer and its surfactant-interacted species were determined by DLS measurements. The surface morphologies of the solvent-removed PDADMAC and its surfactant-interacted complexes from water and IP-water media were examined by the SEM technique. The morphologies witnessed different patterns depending on the composition and the solvent environment. The head groups of the dodecyl chain containing surfactants made differences in the interaction process. 相似文献
88.
Protein-DNA binding is an important process responsible for the regulation of genetic activities in living organisms. The most crucial issue in this problem is how the protein recognizes the DNA and identifies its target base sequences. Water molecules present around the protein and DNA are also expected to play an important role in mediating the recognition process and controlling the structure of the complex. We have performed atomistic molecular dynamics simulations of an aqueous solution of the protein-DNA complex formed between the DNA binding domain of human TRF1 protein and a telomeric DNA. The conformational fluctuations of the protein and DNA and the microscopic structure and ordering of water around them in the complex have been explored. In agreement with experimental studies, the calculations reveal conformational immobilization of the terminal segments of the protein on complexation. Importantly, it is discovered that both structural adaptations of the protein and DNA, and the subsequent correlation between them to bind, contribute to the net entropy loss associated with the complex formation. Further, it is found that water molecules around the DNA are more structured with significantly higher density and ordering than that around the protein in the complex. 相似文献
89.
We present a method called local environment kinetic Monte Carlo (LE-KMC) method for efficiently performing off-lattice, self-learning kinetic Monte Carlo (KMC) simulations of activated processes in material systems. Like other off-lattice KMC schemes, new atomic processes can be found on-the-fly in LE-KMC. However, a unique feature of LE-KMC is that as long as the assumption that all processes and rates depend only on the local environment is satisfied, LE-KMC provides a general algorithm for (i) unambiguously describing a process in terms of its local atomic environments, (ii) storing new processes and environments in a catalog for later use with standard KMC, and (iii) updating the system based on the local information once a process has been selected for a KMC move. Search, classification, storage and retrieval steps needed while employing local environments and processes in the LE-KMC method are discussed. The advantages and computational cost of LE-KMC are discussed. We assess the performance of the LE-KMC algorithm by considering test systems involving diffusion in a submonolayer Ag and Ag-Cu alloy films on Ag(001) surface. 相似文献
90.
Three new bicomponent hydrogels of riboflavin (R) with salicylic acid (S), dihydroxybenzoic acid (B) and acetoguanamine (D) in 1:1 molar ratio have been reported. FTIR and UV-vis spectra suggest formation of H-bonded complexes in 1:1 molar ratio of the components. The network consists of tape, bar and helical tubes for RB11, RS11 and RD11 systems, respectively. Reversible first order phase transition and invariant storage modulus (G') with angular frequency (ω) characterise the systems as forming thermoreversible hydrogels. The RD11 gel has the highest gel melting temperature and highest critical strain compared to other gels. WAXS study indicates different crystal structures for different gels. NMR spectra reveals higher shielding of protons in RD11 gel suggesting better π-stacking compared to RS11 and RB11 gels. RD11 gel shows two-fold enhancement of photoluminescence (PL) intensity with a substantial red shift of emission peak but RB11 and RS11 gels show PL-quenching. The gels exhibit a small decrease in lifetime and the PL property is very much temperature and pH dependent. So the complementary molecules have a pronounced effect on morphology, structure, stability and optical property of riboflavin gels. 相似文献