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81.
A tris(bromo-methylphenylene)triazine and its corresponding phosphine oxide derivative have been synthesized; the latter compound was found to be a potent ligand for the hydroformylation reaction. Suzuki coupling of the mono-pinacolboronate derivative of the former compound with a tris(iodo-methylphenylene)triazine was possible at two of the three iodine atoms, yielding a bromo- and iodo-methylphenylene periphery-functionalized triazine-based dendritic molecule with a 3,3′-dimethyl-biphenyl linker. 相似文献
82.
Demeter Tzeli Ioannis D. Petsalakis Giannoula Theodorakopoulos 《International journal of quantum chemistry》2019,119(16):e25958
We study, via density functional theory and time dependent DFT calculations, the photophysical processes of a styryl-bodipy derivative, which acts as a three metal-cation-receptor fluorophore in order to (a) gain information on the appropriate computational approach for successful prediction of molecular logic gate candidates, (b) rationalize the available experimental data and (c) understand how the given combination of three different receptors with the BODIPY fluorophore presents such interesting optoelectronic responses. The fluorophore ( 1 ), its monometallic complexes ( 1-Ca 2+ , 1-Zn 2+ , and 1-Hg 2+ ), and its trimetallic complex ( 2 ) are studied. The calculated λmax values for absorption and emission are in excellent agreement with experimental data. It was found that the observed quenching of emission of 1 and of the monometallic complexes is attributed to the fact that their first excited state is a charge-transfer state whereas this does not happen for the complex 2 . It should be noted that for the correct ordering of the excited states, the inclusion of corrections to the excitation energies for nonequilibrium solvent effects is required; while in the case of 1-Ca 2+ , the additional explicit inclusion of the solvent is necessary for the quenching of the emission spectra. 相似文献
83.
Nikolaos Gialelis Ioannis G. Stratis 《Mathematical Methods in the Applied Sciences》2019,42(15):4939-4956
We show local existence of certain type of solutions for the Cauchy problem of the defocusing nonlinear Schrödinger equation with pure power nonlinearity, in various cases of open sets, unbounded or bounded. These solutions do not vanish at the boundary or at infinity. We also show, in certain cases, that these solutions are unique and global. 相似文献
84.
85.
Georgios Patias Ioannis Choinopoulos Spyros Koinis Marinos Pitsikalis 《Journal of polymer science. Part A, Polymer chemistry》2018,56(19):2192-2202
Seven (half-)titanocene alkoxide complexes, [Cp2TiCl(OEt)], [Cp2TiCl(O-2-Bu)], [Cp2TiCl(OCH2CF2CF2H)], [CpTiCl2(OEt)], [CpTiCl2(O-(S)-2-Bu)], [CpTiCl2(OCH2CF3)], and [Cp2TiCl(OCH2CF3)], were synthesized and employed in lactide coordination polymerization. These organotitanium (IV) compounds proved to be very efficient initiators for the ring-opening polymerization of enantiomeric l -lactide and racemic mixture of rac-lactide, leading to end-functionalized polymers. Kinetic studies illustrated that these compounds produce well-defined polymers in a controlled manner. This was further demonstrated by synthesizing poly(l -lactide-b-hexyl isocyanate) diblock copolymer. The effect of the alkoxy end groups on the thermal behavior of the polymers was also studied by thermogravimetric analysis and differential scanning calorimetry. The polymers were characterized using size exclusion chromatography and proton nuclear magnetic resonance spectroscopy. The optical properties of the diblock copolymer were also investigated. © 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2018 , 56, 2192–2202 相似文献
86.
87.
Nikolakopoulos Athanassios Ganas Ioannis 《Central European Journal of Operations Research》2017,25(3):587-609
Central European Journal of Operations Research - The paper proposes an economic model predictive control (EMPC) strategy for the inventory routing problem under demand uncertainty. The strategy is... 相似文献
88.
89.
In this study, we perform a series of mass-balance-type calculations, in order to estimate the minimum volume of liquid water required to dissolve completely a single methane gas bubble, located inside different types of domains that are near or under hydrate equilibrium pressure/temperature conditions. We examine the case of methane bubble dissolution in the bulk, along with the cases of methane bubble dissolution within simple/regular networks of pores, where all pores have the same size. In our calculations, we consider experimental values for the equilibrium solubilities of methane in water, along the hydrate-forming line, as well as, values obtained from predictive tools that are based on different thermodynamic models. The effect of aqueous NaCl solutions on the results is also investigated. As a result of the relatively low solubility of methane in water, large volumes of water are required for complete dissolution of a methane bubble. 相似文献
90.
Ioannis P. Zois 《Reports on Mathematical Physics》2005,55(3):307-323