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101.
Design of novel substituted phthalocyanines; synthesis and fluorescence,DFT, photovoltaic properties
Mehmet Salih AIRTA Derya GÜNG
RDÜ SOLUN Ümit YILDIKO Abdullah
ZKARTAL 《Turkish Journal of Chemistry》2020,44(6):1574
The 4-(2-[3,4-dimethoxyphenoxy] phenoxy) phthalonitrile was synthesized as the starting material of new syntheses. Zinc, copper, and cobalt phthalocyanines were achieved by reaction of starting compound with Zn(CH3COO)2, CuCl2, and CoCl2 metal salts. Basic spectroscopic methods such as nuclear magnetic resonance electronic absorption, mass and infrared spectrometry were used in the structural characterization of the compounds. Absorption, excitation, and emission measurements of the fluorescence zinc phthalocyanine compound were also investigated in THF. Then, structural, energy, and electronic properties for synthesized metallophthalocyanines were determined by quantum chemical calculations, including the DFT method. The bandgap of HOMO and LUMO was determined to be chemically active. Global reactivity (I, A, η, s, μ, χ, ω) and nonlinear properties were studied. In addition, molecular electrostatic potential (MEP) maps were drawn to identify potential reactive regions of metallophthalocyanine (M-Pc) compounds. Photovoltaic performances of phthalocyanine compounds for dye sensitive solar cells were investigated. The solar conversion efficiency of DSSC based on copper, zinc, and cobalt phthalocyanine compounds was 1.69%, 1.35%, and 1.54%, respectively. The compounds have good solubility and show nonlinear optical properties. Zinc phthalocyanine gave fluorescence emission. 相似文献
102.
This study investigates the adsorption kinetics of CTAB (cethyltrimethylammonium bromide), a cationic surfactant, onto PAC from aqueous solution with respect to the initial CTAB concentration at 20C. The pseudo-first-order, second-order kinetic models and intraparticle diffusion model were used to describe the kinetic data and the rate constants were calculated. The rate parameter, ki, of intraparticle diffusion, the rate parameter, k2, of the pseudo-second-order and k1, the rate parameter for the pseudo-first-order mechanism were compared. It was found that the pseudo-second-order adsorption mechanism is predominant and the overall rate of the CTAB adsorption process appears to be controlled by more than one step, namely both the external mass transfer and intraparticle diffusion mechanisms. 相似文献
103.
The new Co(II), Cu(II), Ni(II) and Zn(II) complexes of potentially N2O2 Schiff base ligand [N,N’-bis(salicyldehydene)-1,4-bis-(o-aminophenoxy)butane] (H2L) prepared from 1,4-bis-(o-aminophenoxy)butane and salicyldehyde in DMF. Microanalytical data, elemental analysis, magnetic measurements, lH NMR, 13C NMR, UV-visible and IR spectra as well as conductance measurements were used to confirm the structures. In all complexes,
H2L behaves as a tetradentate.
The article is published in the original. 相似文献
104.
Poly(N-(hydroxymethyl)methacrylamide)-1-allyl-2-thiourea) hydrogels, poly(NHMMA-ATU), were synthesized by gamma radiation using 60Co γ source in the ternary mixture of NHMMA-ATU-H2O. These hydrogels were used for the specific gold, silver, platinum and palladium recovery, pre-concentration and matrix elimination from the solutions containing trace amounts of precious metal ions. Elimination of inorganic matrices such as different transition and heavy metal ions, and anions was performed by adjusting the solution pH to 0.5 that was the selective adsorption pH of the precious metal ions. Desorption of the precious metal ions was performed by using 0.8 M thiourea in 3 M HCl as the most efficient desorbing agent with recovery values more than 95%. In the desorption medium, thiourea effect on the atomic signal was eliminated by selecting proper pyrolysis and atomization temperatures for all precious metal ions. Precision and the accuracy of the results were improved in the graphite furnace-atomic absorption spectrometer (GFAAS) measurements by applying the developed matrix elimination method performing the adsorption at pH 0.5. Pre-concentration factors of the studied precious metal ions were found to be at least 1000-fold. Detection limits of the precious metal ions were found to be less than 10 ng L−1 of the all studied precious metal ions by using the proposed pre-concentration method. Determination of trace levels of the precious metals in the sea-water, anode slime, geological samples and photographic fixer solutions were performed using GFAAS clearly after applying the adsorption-desorption cycle onto the poly(NHMMA-UTU) hydrogels. 相似文献
105.
Inverse gas chromatography is used to study the surface properties of the untreated and chemically treated kaolinite samples.
Changes in the enthalpy of adsorption for a variety of probes and in the surface energy of clays are measured and the effect
of modification of the natural clay after chemical treatment with Na2CO3 is determined. The surface energy of the natural clay increased by the modification due to an increase in the surface area.
It can be concluded that the dispersive component of surface free energy, γ
s
d
, decreases with temperature in the 200–275°C temperature range for both samples. Temperature coefficients of γ
s
d
for untreated and modified kaolinites are −0.1185 and −0.3966 mJ/(m2 °C) with the correlation coefficients (R
2) of 0.8479 and 0.965, respectively. From the retention data for polar probes at infinite dilution, information on the accessibility
of surface sites to the probes and on the acid-base character of the surface is obtained. The specific free energy of adsorption,
the specific enthalpy of adsorption (ΔH
sp), and the specific entropy of adsorption of polar probes on initial and modified kaolinites are determined. The ΔH
sp values correlated with the donor numbers and modified acceptor numbers of the probes to quantify the acidity (K
A) and basicity (K
D) parameters of clay surfaces. The values of K
A and K
D for initial and modified kaolinites are determined to be 0.1202 and 0.2803; 0.0130 and 0.0408 with the correlation coefficients
of −0.9805 and −0.9782, respectively. The unmodified clay sample indicated a more acidic character, while the modified clay
sample conferred a largely basic character. Consequently, the predominant surface basicity of the modified kaolinite agrees
with expectation, bearing in mind the treatment with Na2CO3, taking into consideration that such a modification contributes to a decrease in the hydrophilicity of the surface and also
results in the surface showing only weak Lewis acidity.
The text was submitted by the authors in English. 相似文献
106.
Ala'a K. Abdul-Sada Salih Al-Juaid Anthony M. Greenway Peter B. Hitchcock Matthew J. Howells Kenneth R. Seddon Thomas Welton 《Structural chemistry》1990,1(4):391-394
The crystal and molecular structures of [Me2Etim]Cl, [Me2Etim]2[CoCl4], and [Me2Etim]2[NiCl4] ([Me2Etim]+ = 1,2-dimethyl-3-ethylimidazolium cation) all contain evidence that the H4 and H5 protons of the imidazolium cation enter into hydrogen bonds; the implications of this observation for the interactions in room-temperature chloroaluminate(III) ionic liquids are considered. 相似文献
107.
Vladimir V. Egorov Andrei D. Novakovskii Faisal A. Salih Andrei V. Semenov Yauhen B. Akayeu 《Electroanalysis》2020,32(4):674-682
The recently proposed interface equilibria‐triggered dynamic diffusion model of the boundary potential has proven its high predictive efficiency for quantification of the ion exchange and co‐extraction effects at the interface, as well as of the trans‐membrane transfer effect, on the electrode response. It is applicable for both ion exchanger‐based and neutral carrier‐based electrodes. In this communication, the adaptability of this model to more complex cases, when non‐ion‐exchange extraction processes at the interface (partition of organic acids’ and bases’ molecular forms and extraction of ionic associates) are coupled with protolytic equilibria in the aqueous phase and with self‐solvation process in the membrane phase, is demonstrated. By the example of electrodes reversible to ions of highly lipophilic physiologically active bases and acids (amiodarone, verapamil, vinpocetine, salicylic acid), it is shown that the peculiarities of their functioning, such as a very strong pH effect on the potential of cation‐selective electrodes, non‐monotonic pH dependence of the potential and super‐Nernstian response slope in certain pH region for a salicylate‐selective electrode, are well described within the model. 相似文献
108.
Cengiz Çinar Stevo Stević Ibrahim Yalçinkaya 《Journal of Applied Mathematics and Computing》2005,17(1-2):307-314
In this paper we consider positive solutions of the following difference equation $$x_{n + 1} = \min \left\{ {\frac{A}{{x_n }},\frac{B}{{x_{n - 2} }}} \right\}, A, B > 0.$$ We prove that every positive solution is eventually periodic. Also, we present here some results concerning positive solutions of the difference equation $$x_{n + 1} = \min \left\{ {\frac{A}{{x_n x_{n - 1} ...x_{n - k} }},\frac{B}{{x_{n - (k + 2)} ...x_{n - (2k + 2)} }}} \right\}, A, B > 0.$$ 相似文献
109.
The two-parametric quantum deformation of the algebra of coordinate functions on the supergroup GL(1|1) via a contraction of GLp,q(1|1) is presented. Related differential calculus on the quantum superplane is introduced. 相似文献
110.
Salih Djilali 《Journal of Applied Analysis & Computation》2019,9(2):638-654
In this paper, we deal with the effect of the shape of herd behavior on the interaction between predator and prey. The model analysis was studied in three parts. The first, The
analysis of the system in the absence of spatial diffusion and the time delay, where the local stability of the equilibrium states, the existence of Hopf bifurcation have been investigated. For the second part, the spatiotemporal dynamics introduce by self diffusion was determined, where the existence of Hopf bifurcation, Turing driven instability, Turing-Hopf bifurcation point have been proved. Further, the order of Hopf bifurcation points and regions of the stability of the non trivial equilibrium state was given. In the last part of the paper, we studied the delay effect on the stability of the non trivial equilibrium, where we proved that the delay can lead to the instability of interior equilibrium state, and also the existence of Hopf bifurcation. A numerical simulation was carried out to insure the theoretical results. 相似文献