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971.
An experimental study on electro-spraying from small-scale combustors is carried out using liquid ethanol as fuel. Two systems of electro-spraying are employed in the present study; one is a nozzle system (without a ring electrode) and the other is a nozzle-ring system (with a ring electrode). The photos of electro-spraying at the cone-jet mode are taken by a digital camera. The voltage drop across the resistance in the loop is measured by a data acquisition instrument, and the atomization current is calculated according to Ohm's Law. The size and velocity of electro-spraying droplets are measured by a Phase Doppler Anemometer. A non-dimensional analysis on atomization current is completed to explain the electro-spraying phenomena of liquid at the stable cone-jet mode. The results show that, the lower atomization current and droplet velocity corresponds to smaller size of droplet. Based on the results of non-dimensional analysis, it is found that the dimensionless atomization current in both the nozzle system and nozzle-ring system obeys the scaling law as square root of the dimensionless flow rate. The charge density is of a −1.5 power dependence on droplet diameter. Both of the nozzle and the nozzle-ring systems show a good agreement with Rayleigh instability. 相似文献
972.
《Journal of computational chemistry》2017,38(3):144-151
An increasing number of observations show that non‐classical isomers may play an important role in the formation of fullerenes and their exo‐ and endo‐derivatives. A quantum‐mechanical study of all classical isomers of C58, C60, and C62, and all non‐classical isomers with at most one square or heptagonal face, was carried out. Calculations at the B3LYP/6‐31G* level show that the favored isomers of C58, C60, and C62 have closely related structures and suggest plausible inter‐conversion and growth pathways among low‐energy isomers. Similarity of the favored structures is reinforced by comparison of calculated ring currents induced on faces of these polyhedral cages by radial external magnetic fields, implying patterns of magnetic response similar to those of the stable, isolated‐pentagon C60 molecule. © 2016 Wiley Periodicals, Inc. 相似文献
973.
In this Letter, self-organization of directed networks is surveyed. Inspired from the results in neural networks research, we propose an asymmetric coupling scheme with simple edge deleting rules. Results show that all-to-all networks can be organized into scale-free networks with feed-forward structures. Corresponding analysis is also given. 相似文献
974.
Yury Yu. Rusakov Leonid B. Krivdin Valentina M. Nosova Alexander V. Kisin Valentin G. Lakhtin 《Magnetic resonance in chemistry : MRC》2012,50(10):665-671
The calculations of geminal and vicinal 29Si–1H spin–spin coupling constants across double bond in 15 alkenylmethylsilanes and alkenylchlorosilanes were carried out at the second‐order polarization propagator approach level in a good agreement with experiment. Two structural trends, namely, (i) the geometry of the coupling pathway and (ii) the effect of the electrowithdrawing substituent, have been interpreted in terms of the natural J‐coupling analysis within the framework of the natural bond orbital approach. Thus, the marked difference between cisoidal and transoidal 29Si–1H spin–spin coupling constants across double bond was accounted for the delocalization contributions including bonding and antibonding Si–C and C–H orbitals, whereas the chlorine effect was explained in terms of the steric contributions including bonding Si–Cl orbitals. Copyright © 2012 John Wiley & Sons, Ltd. 相似文献
975.
A consecutive radical addition‐coupling reaction involving dithioester is applied to produce thermodegradable multisegmented polymer using α,ω‐dibromo polymer as precursor. The macroradical generated by single electron transfer process promoted by Cu/ligand from α,ω‐dibromo polymer can efficiently add to ethyl dithiobenzoate, which results intermediate adduct radical. The in situ formed adduct radical immediately undergoes crosscoupling reaction with macroradical, generating segmented polymer bridged with C? S bond. The consecutive radical addition‐coupling reaction generates multisegmented polymer linked by C? S bond following step‐growth mechanism. The multisegmented polymer can be thermodegraded in the presence of hydrogen atom donor or air. © 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012 相似文献
976.
Synthesis of medium-sized carbocyclic ketones via the intramolecular B-alkyl Liebeskind-Srogl coupling reaction is described. The sequence of hydroboration of ω-alkenyl thiol ester with 9-BBN and the Liebeskind-Srogl reaction results in the formation of medium-sized carbocyclic ketones with good yield. 相似文献
977.
Saleh Abdel-Mgeed Ahmed 《Tetrahedron letters》2010,51(4):730-733
Eight new photochromic dihydro 5-azaindolizines (DHAIs) linked with 2,5-diaryl-1,3,4-oxadiazole (OXD) derivatives containing terminal ethynes and butadiyne substituents on the fluorene part of the DHAI skeleton are synthesized via palladium-mediated coupling reaction pathways. Irradiation of the DHAI-OXD derivatives with polychromatic light affords red- and green-colored betaines. 相似文献
978.
F. Thibault K.A. Grabow C.I. Marcus L.A. Robertson M.C. Stoffel 《Journal of Molecular Spectroscopy》2009,256(1):17-2081
Theoretical and experimental values have been determined for the pressure broadening of the ν1 + ν3 band of acetylene by hydrogen and deuterium at 195 K, and experimental values of the pressure shifts have been determined. Theoretical values have been calculated on the basis of a recent potential energy surface using the close coupling scheme. We discuss the detailed contribution of the various rotational angular momenta of the perturbing gas and the ortho and para contribution to the total pressure broadening cross-sections. We give routes to circumvent the computational cost of such calculations. Experimental values have been measured using a tunable diode laser spectrometer assuming a Voigt line shape. These pressure broadening parameters are compared with measurements performed recently at room temperature and with present measurements performed at 195 K in the ν1 + ν3 band of acetylene. A satisfactory agreement is obtained with the present results and available ones at 295 K. 相似文献
979.
A new series of hexa‐coordinated stable Ru(III) Schiff base complexes of the type [RuX(EPh3)(L)] (where X = Cl/Br; E = P/As; L = tetradentate N2O2 donor Schiff ligands) have been synthesized and characterized by elemental analysis, magnetic susceptibility measurement, FT‐IR, UV–vis, 13C{1H}‐NMR, ESR spectra, electrochemical and powder X‐ray diffraction pattern studies. The selective oxidation of alcohols to their corresponding carbonyl compounds occurred in the presence of N‐methylmorpholin‐N‐oxide (NMO), H2O2 and O2 atmosphere at ambient temperature as co‐oxidants and C? C coupling reactions. Further, these new Schiff base ligands and their Ru(III) complexes were also screened for their antibacterial activity against K. pneumoniae, Shigella sp., M. luteus, E. coli and S. typhi. Copyright © 2010 John Wiley & Sons, Ltd. 相似文献
980.
Consider K ≥ 2 independent copies of the random walk on the symmetric group SN starting from the identity and generated by the products of either independent uniform transpositions or independent uniform neighbor transpositions. At any time $n\in \mathbb{N}$, let Gn be the subgroup of SN generated by the K positions of the chains. In the uniform transposition model, we prove that there is a cut‐off phenomenon at time N ln(N)/(2K) for the non‐existence of fixed point of Gn and for the transitivity of Gn, thus showing that these properties occur before the chains have reached equilibrium. In the uniform neighbor transposition model, a transition for the non‐existence of a fixed point of Gn appears at time of order $N^{1+\frac{2}{K}}$ (at least for K ≥ 3), but there is no cut‐off phenomenon. In the latter model, we recover a cut‐off phenomenon for the non‐existence of a fixed point at a time proportional to N by allowing the number K to be proportional to ln(N). The main tools of the proofs are spectral analysis and coupling techniques. © 2011 Wiley Periodicals, Inc. Random Struct. Alg., 2012 相似文献