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101.
102.
Koptyug IV Kovtunov KV Burt SR Anwar MS Hilty C Han SI Pines A Sagdeev RZ 《Journal of the American Chemical Society》2007,129(17):5580-5586
We demonstrate the creation and observation of para-hydrogen-induced polarization in heterogeneous hydrogenation reactions. Wilkinson's catalyst, RhCl(PPh3)3, supported on either modified silica gel or a polymer, is shown to hydrogenate styrene into ethylbenzene and to produce enhanced spin polarizations, observed through NMR, when the reaction was performed with H2 gas enriched in the para spin isomer. Furthermore, gaseous phase para-hydrogenation of propylene to propane with two catalysts, the Wilkinson's catalyst supported on modified silica gel and Rh(cod)(sulfos) (cod = cycloocta-1,5-diene; sulfos = -O3S(C6H4)CH2C(CH2PPh2)3) supported on silica gel, demonstrates heterogeneous catalytic conversion resulting in large spin polarizations. These experiments serve as a direct verification of the mechanism of heterogeneous hydrogenation reactions involving immobilized metal complexes and can be potentially developed into a practical tool for producing catalyst-free fluids with highly polarized nuclear spins for a broad range of hyperpolarized NMR and MRI applications. 相似文献
103.
9,10‐Diphenyl‐9,10‐epidioxyanthracene and 9,10‐dihydro‐10,10‐dimethoxy‐9‐phenylanthracen‐9‐ol
Anwar Usman Hoong‐Kun Fun Yun Li Jian‐Hua Xu 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):o308-o310
9,10‐Diphenyl‐9,10‐epidioxyanthracene, C26H18O2, (I), was accidentally used in a photooxygenation reaction that produced 9,10‐dihydro‐10,10‐dimethoxy‐9‐phenylanthracen‐9‐ol, C22H20O3, (II). In both compounds, the phenyl rings are approximately orthogonal to the anthracene moiety. The conformation of the anthracene moiety differs as a result of substitution. Intramolecular C—H⃛O interactions in (I) form two approximately planar S(5) rings in each of the two crystallographically independent molecules. The packing of (I) and (II) consists of molecular dimers stabilized by C—H⃛O interactions and of molecular chains stabilized by O—H⃛O interactions, respectively. 相似文献
104.
105.
Eny?KusriniEmail author Muhammad?I.?Saleh Anwar?Usman 《Journal of chemical crystallography》2011,41(2):87-97
Abstract
The crystal structure and photoluminescence (PL) studies of the monomeric and dimeric Er(III) complexes with two different chelating ligands (anthracene-9-carboxylic acid, 9-ACA; pentaethylene glycol, EO5; and picric acid, HPic) are reviewed. The Er(III) metal ion was coordinated to the attached ligands in eight- and nine-coordination number. The dimeric [Er2(9-AC)6(DMF)2(H2O)2] complex shows the presence of deprotonated 9-AC anions with the negatively charged oxygen atoms bridged two Er(III) ions leads to a great coordinative flexibility via three possibilities of coordination modes, i.e. monodentate, chelation bidentate, chelating–bridging tridentate, where 9-AC = anthracene-9-carboxylate anion. The monomeric [Er(Pic)2(EO5)](Pic) complex displays the important flexible structure of the acyclic EO5 ligand and the role of Pic anions act as bidentate and monodentate chelations. The PL spectra of both Er(III) complexes show a broad band with the center peak position being dependent on the attached aromatic ligands. The heavier lanthanide complexes show the difference in structures, coordination geometry environment, and luminescence properties compared to the lighter lanthanide complexes. The energy transfer process in the complexes could be optimized with maximize the overlap between the emission spectrum of donor atom and absorption spectrum of acceptor atom. 相似文献106.
O. Anwar Bég J. Zueco H.S. Takhar T.A. Bég A. Sajid 《Communications in Nonlinear Science & Numerical Simulation》2009,14(11):3856-3866
A boundary-layer model is described for the two-dimensional nonlinear transient thermal convection heat and mass transfer in an optically-thick fluid in a Darcian porous medium adjacent to an impulsively started vertical surface, in the presence of significant thermal radiation and buoyancy forces in an (X1,Y1,t1) coordinate system. An algebraic approximation is employed to simplify the integro-differential equation of radiative transfer for unidirectional flux normal to the plate into the boundary-layer regime, by incorporating this flux term in the energy conservation equation. The conservation equations are non-dimensionalized into an (X,Y,T) coordinate system and solved using the Network Simulation Method (NSM), a robust numerical technique which demonstrates high efficiency and accuracy. The transient variation of non-dimensional streamwise velocity component (u) and temperature (T) and concentration (C) functions is computed for various selected values of Stark number (radiation–conduction interaction parameter) and Darcy number. Transient velocity (u) and steady-state local skin friction (τX) are also studied for various thermal Grashof number (Gr), species Grashof number (Gm), Schmidt number (Sc) and Stark number (N) values. These computations for the infinite permeability case (Da → ∞) are compared with previous finite difference solutions [Prasad et al. Int J Therm Sci 2007;46(12):1251–8] and shown to be in excellent agreement. An increase in Darcy number is seen to accelerate the flow and boost velocity. A decrease in Stark number (corresponding to an increase in thermal radiation heat transfer contribution) is shown to increase the velocity values. Temperature function is observed to fall in value with a rise in Da and increase with decrease in N (corresponding to an increase in thermal radiation heat transfer contribution). Applications of the study include rocket combustion chambers, astrophysical flows, spacecraft thermal fluid dynamics in debris-laden environments (cosmic dust), heat transfer in forest fire spread, geochemical contamination and ceramic materials processing. 相似文献
107.
Anwar Gavili Taghi Dallali Isfahani Fatemeh Zabihi Iraj Hadi 《Heat and Mass Transfer》2013,49(10):1433-1445
The heat transfer and fluid flow behavior of water based Al2O3 nanofluids are numerically investigated inside a two-sided lid-driven differentially heated rectangular cavity. Physical properties which have major effects on the heat transfer of nanofluids such as viscosity and thermal conductivity are experimentally investigated and correlated and subsequently used as input data in the numerical simulation. Transport equations are numerically solved with finite volume approach using SIMPLEC algorithm. It was found that not only the thermal conductivity but also the viscosity of nanofluids has a key role in the heat transfer of nanofluids. The results show that at low Reynolds number, increasing the volume fraction of nanoparticles increases the viscosity and has a deteriorating effect on the heat transfer of nanofluids. At high Reynolds number, the increase in the viscosity is compensated by force convection and the increase in the volume fraction of nanoparticles which results in an increase in heat transfer is in coincidence with experimental results. 相似文献
108.
We present a methodology to analyze the stationary states and stability of complex fluid flows by using hybrid, discrete, and/or continuum multi-scale simulations. Building on existing theories, our scheme extracts dynamical and equilibrium characteristics from carefully chosen time integrations of these multi-scale evolution equations. Two canonical problems are presented to demonstrate the ability and accuracy of the formalism. The first is an investigation of flow-induced transitions seen in homogeneous, hard- rod liquid crystal suspensions subjected to a linear shear flow. In the second problem, we study the phenomenon of draw resonance, a dynamical instability in an isothermal fiber-spinning process, by using a multi-scale hybrid simulation that incorporates both stochastic and continuum models. 相似文献
109.
BC Makhubela AM Jardine G Westman GS Smith 《Dalton transactions (Cambridge, England : 2003)》2012,41(35):10715-10723
The synthesis and characterization of low-generation pyridylimine Rh(i) metallodendrimers is described. These metallodendrimers were obtained via a Schiff base condensation of tris-2-(aminoethyl)amine with 2-pyridinecarboxaldehyde to afford the tris-2-(2-pyridylimine ethyl) amine ligand (1). Subsequent complexation reactions with [RhCl(CO)(2)](2) and [RhCl(COD)](2) yielded the corresponding metal-containing dendrimers containing -RhCl(CO) and -Rh(COD) moieties on the periphery. These new rhodium metallodendrimers (2 and 3) and their precursor ligand (1) are thermally stable and have been characterized using (1)H NMR, (13)C NMR, (31)P NMR, FT-IR spectroscopy, elemental analysis as well as mass spectrometry. The Rh(i) metallodendrimers are highly active and chemo- and regioselective in the hydroformylation of 1-octene. Aldehydes were favoured at moderate to high temperatures (95 °C and 75 °C) and pressure (30 bars), while more iso-octenes were formed at low temperature (55 °C) and pressures (5 and 10 bars). The mononuclear analogues (5 and 6) also produced more aldehydes (albeit showing catalyst decomposition at 95 °C and 75 °C, 30 bars) and these aldehydes were mostly branched. 相似文献
110.
Seddighi Chahrborj S Sadat Kiai SM Abu Bakar MR Ziaeian I Gheisari Y 《Journal of mass spectrometry : JMS》2012,47(4):484-489
The homotopy analysis method (HAM) is applied to study the behavior of a hyperbolic rods of quadrupole mass filter and a sinusoidal potential form V(ac) cos(Ωt). Numerical computation method of a 20th-order HAM is employed to compare the physical properties of the confined ions with fifth-order Runge-Kutta method. Also, comparison is made for the first stability region, the ion trajectories in real time, the polar plots, and the ion trajectory in x?-?y plan. The results show that the two methods are fairly similar; therefore, the HAM method has potential application to solve linear and nonlinear equations of the charge particle confinement in quadrupole field. 相似文献