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141.
Renata ?yszczek Zofia Rz?czyńskaAlina Kula Agnieszka G?adysz-P?aska 《Journal of Analytical and Applied Pyrolysis》2011,92(2):347-354
The lanthanide 2,6-naphthalenedicarboxylates series of the formulas Ln2(ndc)3·nH2O, where Ln = lanthanides from La(III) to Lu(III); ndc - C10H6(COO)22−; n = 4, 4.5 or 5 have been prepared by the precipitation method. All obtained products were examined and characterized by elemental analysis, FTIR spectroscopy, simultaneous thermal analyses TG-DSC and TG-FTIR, X-Ray diffraction patterns as well as luminescence measurements. The crystalline compounds form three isostructural groups: Ce-Sm; La and Eu-Dy; Ho-Lu. In all complexes, the ndc2− ligand appears in the deprotonated form. Heating of the complexes resulted in the multi-steps decomposition process. The dehydration process leads to the formation of stable crystalline Ln2ndc3 compounds which further decompose to the corresponding lanthanide oxides (air atmosphere). In argon atmosphere they decompose with releasing of water, carbon oxides and naphthalene molecules. The luminescence properties of Eu(III), Nd(III), Tb(III) and Er(III) complexes were investigated. The complexes of Eu(III) and Tb(III) emitted red and green light when excited by ultraviolet light whereas Nd(III) and Er(III) display emissions in the NIR region. 相似文献
142.
The ground‐state electronic structure of peroxynitrous acid (HOONO) and its singlet biradicaloid form (HO ··· ONO) have been studied using topological analysis of the electron localization function (ELF), together with the electron localizability indicator (ELI‐D), at the DFT (B3LYP, M05, M052X, and M06), CCSD, and CASSCF levels. Three isomers of HOONO (cis‐cis, cis‐perp, and trans‐perp) have been considered. The results show that from all functionals applied, only B3LYP yields the correct geometrical structure. The ELF and ELI‐D‐topology of the O? O and central N? O bonds strongly depends on the wave function used for analysis. Calculations carried out at CAS (14,12)/aug‐cc‐pVTZ//CCSD(T)/aug‐cc‐pVTZ level reveal two bonds of the charge‐shift type: a protocovalent N? O bond with a basin population of 0.82–1.08e, and a more electron depleted O? O bond with a population of 0.66–0.71e. The most favorable dissociation channel (HOONO → HO + ONO) corresponds to breaking of the most electron‐deficient bond (O? O). In the case of cis‐ and trans‐HO ··· ONO, the ELF, ELI‐D, and electron density fields results demonstrate a closed‐shell O ··· O interaction. The α‐spin electrons are found mainly (0.64e) in the lone pairs of oxygen Vi = 1,2 (O) from the OH group. The β‐spin electrons are delocalized over the ONO group, with the largest concentration (0.34e) on the lone pair of nitrogen V(N). © 2011 Wiley Periodicals, Inc. J Comput Chem, 2011 相似文献
143.
Stokes JR Macakova L Chojnicka-Paszun A de Kruif CG de Jongh HH 《Langmuir : the ACS journal of surfaces and colloids》2011,27(7):3474-3484
Aqueous lubrication is currently at the forefront of tribological research due to the desire to learn and potentially mimic how nature lubricates biotribological contacts. We focus here on understanding the lubrication properties of naturally occurring polysaccharides in aqueous solution using a combination of tribology, adsorption, and rheology. The polysaccharides include pectin, xanthan gum, gellan, and locus bean gum that are all widely used in food and nonfood applications. They form rheologically complex fluids in aqueous solution that are both shear thinning and elastic, and their normal stress differences at high shear rates are found to be characteristic of semiflexible/rigid molecules. Lubrication is studied using a ball-on-disk tribometer with hydrophobic elastomer surfaces, mimicking biotribological contacts, and the friction coefficient is measured as a function of speed across the boundary, mixed, and hydrodynamic lubrication regimes. The hydrodynamic regime, where the friction coefficient increases with increasing lubricant entrainment speed, is found to depend on the viscosity of the polysaccharide solutions at shear rates of around 10(4) s(-1). The boundary regime, which occurs at the lowest entrainment speeds, depends on the adsorption of polymer to the substrate. In this regime, the friction coefficient for a rough substrate (400 nm rms roughness) is dependent on the dry mass of polymer adsorbed to the surface (obtained from surface plasmon resonance), while for a smooth substrate (10 nm rms roughness) the friction coefficient is strongly dependent on the hydrated wet mass of adsorbed polymer (obtained from quartz crystal microbalance, QCM-D). The mixed regime is dependent on both the adsorbed film properties and lubricant's viscosity at high shear rates. In addition, the entrainment speed where the friction coefficient is a minimum, which corresponds to the transition between the hydrodynamic and mixed regime, correlates linearly with the ratio of the wet mass and viscosity at ~10(4) s(-1) for the smooth surface. These findings are independent of the different polysaccharides used in the study and their different viscoelastic flow properties. 相似文献
144.
Barbara Le?niewska Monika Kosi��ska Beata Godlewska-?y?kiewicz El?bieta Zambrzycka Agnieszka Z. Wilczewska 《Mikrochimica acta》2011,175(3-4):273-282
An ion-imprinted polymer (IIP) was obtained by copolymerization of methacrylic acid (as a functional monomer) and ethylene glycol dimethacrylate (as a crosslinking agent) in the presence of various chelators for Pt(II) ion and using 2,2??-azo-bis-isobutyronitrile as the initiator. Specifically, acetaldehyde thiosemicarbazone (AcTSn) and benzaldehyde thiosemicarbazone (BnTSn) were used as chelators. The IIPs were applied as sorbents for solid-phase extraction of Pt(II) and Pt(IV) ions from aqueous solutions. The effects of acidity and flow rate of the sample, of elution conditions and of potentially interfering ions were investigated. The imprinting effect of analyte is clearly demonstrated by the fact that only the IIP is capable of quantitative retention of Pt(II) and Pt(IV) ions. The method works best in the pH range from 0.5 to 1 and from 3.5 to 9.5. The ions can be recovered with an acidic solution of thiourea. The Pt-AcTSn polymer displays better sorption properties for the separation of analytes. The selectivity coefficients of the Pt-AcTSn and control polymers for Pt(IV) in the presence Pd(II), Rh(III), Ru(III), Al(III) and Cu(II) were calculated, and the sorbent capacity for Pt(IV) was found to be 4.56???g?g?-1. The method was successfully applied to the determination of Pt(IV) by electrothermal atomic absorption spectrometry in tap water, tunnel dust and anode slime samples. Figure
The new ion imprinted polymers based on Pt(II)-thiosemicarbazone derivative chelates were prepared and used as solid phase extraction sorbent for selective separation of platinum. The method was successfully applied to the determination of analyte in environmental samples by electrothermal atomic absorption spectrometry 相似文献
145.
Horner-Wadsworth-Emmons (HWE) or Still-Gennari olefination of TBS-protected 3,3-difluoro-4-hydroxy-2-ones, derived from the difluoroallylboration of aldehydes, provides the Z-isomer of 4,4,-difluoropent-2-enoates. These, upon hydrolysis, followed by Yamaguchi cyclization, afford 5,5-difluoro-4-methyl-5,6-dihydro-α-pyrones in high yields. 相似文献
146.
MicroRNAs as biomarkers of disease onset 总被引:1,自引:0,他引:1
Ciesla M Skrzypek K Kozakowska M Loboda A Jozkowicz A Dulak J 《Analytical and bioanalytical chemistry》2011,401(7):2051-2061
147.
Rudolf Berghammer Stefan Bolus Agnieszka Rusinowska Harrie de Swart 《European Journal of Operational Research》2011
Simple games are a powerful tool to analyze decision-making and coalition formation in social and political life. In this paper, we present relation-algebraic models of simple games and develop relational specifications for solving some basic problems of them. In particular, we test certain fundamental properties of simple games and compute specific players and coalitions. We also apply relation algebra to determine power indices. This leads to relation-algebraic specifications, which can be evaluated with the help of the BDD-based tool Rel View after a simple translation into the tool’s programming language. In order to demonstrate the visualization facilities of Rel View we consider an example of the Catalonian Parliament after the 2003 election. 相似文献
148.
Phenol adsorption on closed carbon nanotubes 总被引:1,自引:0,他引:1
Pacholczyk A Terzyk AP Wiśniewski M Gauden PA Wesołowski RP Furmaniak S Szcześ A Chibowski E Kruszka B 《Journal of colloid and interface science》2011,361(1):288-292
We present the results of systematic studies of phenol adsorption on closed commercially available, unmodified carbon nanotubes. Phenol adsorption is determined by the value of tube-specific surface area, the presence of small amount of surface groups influence adsorption only in very small amount. Phenol can be applied as a probe molecule for comparative analysis of tube surface areas. Tube curvature influences adsorption from solution, i.e., we observe increasing adsorption energy (and slower desorption process) with the decrease in tube curvature. This is in full accordance with molecular simulation results. 相似文献
149.
Szyperska A Gajewicz A Mazurkiewicz K Leszczynski J Rak J 《Physical chemistry chemical physics : PCCP》2011,13(43):19499-19507
Electron attachment to trimeric complexes that mimic most frequent hydrogen bonding interactions between an amino acid side chain (AASC) and the Watson-Crick (WC) 9-methyladenine-1-methylthymine (MAMT) base pair has been studied at the B3LYP/6-31++G(d,p) level of theory. Although the neutral trimers will not occur in the gas phase due to unfavorable free energy of stabilization (G(stab)) they should form a protein-DNA complex where entropy changes related to formation of such a complex will more than balance its disadvantageous G(stab). The most stable neutrals possess an identical pattern of hydrogen bonds (HBs). In addition, the proton-acceptor (N7) and proton-donor (N10) atoms of adenine involved in those HBs are located in the main groove of DNA. All neutral structures support the adiabatically stable valence anions in which the excess electron is localized on a π* orbital of thymine. The vertical detachment energies (VDEs) of anions corresponding to the most stable neutrals are substantially smaller than that of the isolated WC MAMT base pair. Hence, electron transfer from the anionic thymine to the phosphate group and as a consequence formation of a single strand break (SSB) should proceed more efficiently in a protein-dsDNA complex than in the naked dsDNA as far as electron attachment to thymine is concerned. 相似文献
150.
Dawid Maliszewski Agnieszka Wrbel Beata Kolesiska Justyna Frczyk Danuta Drozdowska 《Molecules (Basel, Switzerland)》2021,26(13)
A series of new analogs of nitrogen mustards (4a–4h) containing the 1,3,5-triazine ring substituted with dipeptide residue were synthesized and evaluated for the inhibition of both acetylcholinesterase (AChE) and β-secretase (BACE1) enzymes. The AChE inhibitory activity studies were carried out using Ellman’s colorimetric method, and the BACE1 inhibitory activity studies were carried out using fluorescence resonance energy transfer (FRET). All compounds displayed considerable AChE and BACE1 inhibition. The most active against both AChE and BACE1 enzymes were compounds A and 4a, with an inhibitory concentration of AChE IC50 = 0.051 µM; 0.055 µM and BACE1 IC50 = 9.00 µM; 11.09 µM, respectively. 相似文献