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121.
122.
Particle swarm optimization (PSO) is an evolutionary, easy-to-implement technique to design optical diffraction gratings. Design of reflection and transmission guided-mode resonance (GMR) grating filters using PSO is reported. The spectra of the designed filters are in good agreement with the design targets in a reasonable computation time. Also, filters are designed with a genetic algorithm (GA) and the results obtained by the GA and PSO are compared. 相似文献
123.
Kunsagi-Maté S Ortmann E Kollar L Nikfardjam MP 《The journal of physical chemistry. B》2007,111(40):11750-11755
The interaction of malvidin-3-O-glucoside with ellagic acid was studied in aqueous solutions in dependence of the ethanol content of the samples. The results show significant changes of the thermodynamic parameters when the ethanol content exceeds 8%vol. The quantum chemical calculations and the solvent relaxation measurements validate that the solvatation shell of the malvidin-ellagic acid complexes changes from water to ethanol around this critical alcoholic concentration. The change of the solvate shell is accompanied by increasing copigmentation; i.e., higher "multi-sandwich" complexes are formed. According to the considerable role of this interaction (namely copigmentation) in the formation of color in red wines, our results have several consequences for the winemaking process with regard to the stabilization of wine color. 相似文献
124.
Mehrdad Pourayoubi James A. Golen Mahnaz Rostami Chaijan Vladimir Divjakovic Monireh Negari Arnold L. Rheingold 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(5):m160-m164
In the new tin(IV) and copper(II) complexes, cis‐dichlorido‐trans‐dimethyl‐cis‐bis(N,N′,N′′‐tricyclohexylphosphoric triamide‐κO)tin(IV), [Sn(CH3)2Cl2(C18H36N3OP)2], (I), and trans‐diaquabis(N,N′,N′′‐tricyclohexylphosphoric triamide‐κO)copper(II) dinitrate–N,N′,N′′‐tricyclohexylphosphoric triamide (1/2), [Cu(C18H36N3OP)2(H2O)2](NO3)2·2C18H36N3OP, (II), the N,N′,N′′‐tricyclohexylphosphoric triamide (PTA) ligands exist as hydrogen‐bonded dimers via P=O...H—N interactions around the metal center. The asymmetric unit in (I) consists of one complete complex molecule located on a general position. The SnIV coordination geometry is octahedral with two cis hydrogen‐bonded PTA ligands, two cis chloride ligands and two trans methyl groups. The asymmetric unit in (II) contains one half of a [Cu(PTA)2(H2O)2]2+ dication on a special position (site symmetry for the Cu atom), one nitrate anion and one free PTA molecule, both on general positions. The complex adopts a square‐planar trans‐[CuO2O2] coordination geometry, with the CuII ion coordinated by two PTA ligands and two water molecules. Each of the noncoordinated PTA molecules is hydrogen bonded to a neighboring coordinated PTA molecule and an adjacent water molecule; the phosphoryl O atom acts as a double‐H‐atom acceptor. The P atoms in the PTA ligands of both complexes and in the noncoordinated hydrogen‐bonded molecules in (II) adopt a slightly distorted tetrahedral environment. 相似文献
125.
Mehrdad Massoudi 《Mechanics Research Communications》2011,38(5):378-381
In this paper we modify the constitutive relation derived by Reiner (1945), to describe dilatancy in wet sand, by suggesting that the shear viscosity would depend on the shear rate and the volume fraction. We then look at the flow of a saturated densely packed bed of particles (with liquid in the pores) between two horizontal flat plates. We obtain exact solutions for a very special case. 相似文献
126.
Mehrdad Lakestani 《Journal of Computational and Applied Mathematics》2011,235(11):3291-3303
An effective method based upon Legendre multiwavelets is proposed for the solution of Fredholm weakly singular integro-differential equations. The properties of Legendre multiwavelets are first given and their operational matrices of integral are constructed. These wavelets are utilized to reduce the solution of the given integro-differential equation to the solution of a sparse linear system of algebraic equations. In order to save memory requirement and computational time, a threshold procedure is applied to obtain the solution to this system of algebraic equations. Through numerical examples, performance of the present method is investigated concerning the convergence and the sparseness of the resulted matrix equation. 相似文献
127.
Abbas Mehrdad Mohammad Taghi Taghizadeh Roghieh Moladoust 《Journal of solution chemistry》2011,40(5):832-842
In this work, the intrinsic viscosities of poly(ethylene glycol) with a molar mass of 20 kg⋅mol−1 were measured in water/1-propanol solutions from 283.1 to 313.1 K. The expansion factors of the polymer chains were calculated
from the intrinsic viscosity data. The thermodynamic parameters entropy of dilution parameter, the heat of dilution parameter,
theta temperature, polymer–solvent interaction parameter and second osmotic virial coefficient were derived from the temperature
dependence of the polymer chain expansion factor. The thermodynamic parameters indicate that mixtures of water/1-propanol
become weaker solvents for poly(ethylene glycol) with increasing temperature. Also, the thermodynamic parameters indicate
that the solvent ability of mixed water/1-propanol for poly(ethylene glycol) is less than that of pure water. 相似文献
128.
To realize the effects of the pyridyl group on the stability, multiplicity, and geometry of isomeric pyridylcarbenes and their heavier Si and Ge analogues, a theoretical study was performed at B3LYP/6-311++G(d,p)//B3LYP/6-31G(d). The behavior of nitrogen atom was totally different in each multiplicity (singlet and triplet), structural isomer (ortho-, meta-, and para-), and divalent center (C, Si, and Ge). All pyridylcarbenes have triplet ground states, while the stable silylene and germylene analogues are singlet. The pyridyl group stabilizes both singlet and triplet states divalent centers with more pronounced effects on the singlet states in the order: carbene>germylene>silylene. While all planar species benefit from common π–p conjugative interaction of the pyridyl ring, in the ortho-isomers of 2-pyridylsilylene and 2-pyridylgermylene there is another interaction, n–p, that leads to two stable non-planar conformers. This finding is confirmed by NBO charges, calculated UV–vis spectra, philicity indices (N and ω), and isodesmic reactions. 相似文献
129.
Neshati V Matin MM Bahrami AR Iranshahi M Rassouli FB Saeinasab M 《Natural product research》2012,26(18):1724-1727
Despite widespread application of cisplatin in treatment of transitional cell carcinomas, its efficiency is far from satisfactory due to acquired drug resistance. The present study was carried out to estimate the effects of conferone, a sesquiterpene-coumarin isolated from Ferula badrakema, on increasing cisplatin cytotoxicity in 5637 cells. In order to determine conferone effects, 5637 cells were cultured in the presence of different concentrations of conferone and cisplatin in combination. The cytotoxicity and DNA damaging effects were then studied using MTT and comet assays, respectively. The results revealed that 24?h after the combination of 1?μg?mL?1 cisplatin with 32?μg?mL?1 conferone, the cytotoxicity of cisplatin was increased by 36.76%, and comet assay analyses showed that conferone could enhance the DNA damaging effects of cisplatin by 41%. 相似文献
130.
Four numerical techniques based on the linear B‐spline functions are presented for the numerical solution of the Lane–Emden equation. Some properties of the B‐spline functions are presented and are utilized to reduce the solution of the Lane–Emden equation to the solution of algebraic equations. Illustrative examples are included to demonstrate the validity and applicability of the new techniques. Copyright © 2013 John Wiley & Sons, Ltd. 相似文献