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501.
Stanimirova I Kubik A Walczak B Einax JW 《Analytical and bioanalytical chemistry》2008,390(5):1273-1282
Biofilms are complex aggregates formed by microorganisms such as bacteria, fungi and algae, which grow at the interfaces between
water and natural or artificial materials. They are actively involved in processes of sorption and desorption of metal ions
in water and reflect the environmental conditions in the recent past. Therefore, biofilms can be used as bioindicators of
water quality. The goal of this study was to determine whether the biofilms, developed in different aquatic systems, could
be successfully discriminated using data on their elemental compositions. Biofilms were grown on natural or polycarbonate
materials in flowing water, standing water and seawater bodies. Using an unsupervised technique such as principal component
analysis (PCA) and several supervised methods like classification and regression trees (CART), discriminant partial least
squares regression (DPLS) and uninformative variable elimination–DPLS (UVE-DPLS), we could confirm the uniqueness of sea biofilms
and make a distinction between flowing water and standing water biofilms. The CART, DPLS and UVE-DPLS discriminant models
were validated with an independent test set selected either by the Kennard and Stone method or the duplex algorithm. The best
model was obtained from CART with 100% correct classification rate for the test set designed by the Kennard and Stone algorithm.
With CART, one variable describing the Mg content in the biofilm water phase was found to be important for the discrimination
of flowing water and standing water biofilms. 相似文献
502.
Carbon nanotube junctions can be modeled by fullerene spanning or by using some operations on map. They can self-assemble into more complex structures, such as finite or infinite high genera multi-tori. Four junctions of tetrahedral and octahedral symmetry, covered by patches consisting only of hexagons, were designed. Their stability is discussed in terms of total energy, evaluated at Hartree-Fock (HF) level of theory, HOMO-LUMO gap, strain energy, HOMA index of aromaticity and the Kekulé structure count. Vibrational spectra of these junctions are given as well. A new multi-toroidal structure, of octahedral symmetry, is presented for the first time. The study on topology of the multi-tori herein designed revealed the relation of these structures with the genus of their embedding surface. 相似文献
503.
Agata Hogendorf Adam S. Hogendorf Rafa Kurczab Grzegorz Sataa Bernadeta Szewczyk Paulina Cielik Gniewomir Latacz Jadwiga Handzlik Tomasz Lenda Katarzyna Kaczorowska Jakub Staro Ryszard Bugno Beata Duszyska Andrzej J. Bojarski 《Molecules (Basel, Switzerland)》2021,26(15)
A series of N-skatyltryptamines was synthesized and their affinities for serotonin and dopamine receptors were determined. Compounds exhibited activity toward 5-HT1A, 5-HT2A, 5-HT6, and D2 receptors. Substitution patterns resulting in affinity/activity switches were identified and studied using homology modeling. Chosen hits were screened to determine their metabolism, permeability, hepatotoxicity, and CYP inhibition. Several D2 receptor antagonists with additional 5-HT6R antagonist and agonist properties were identified. The former combination resembled known antipsychotic agents, while the latter was particularly interesting due to the fact that it has not been studied before. Selective 5-HT6R antagonists have been shown previously to produce procognitive and promnesic effects in several rodent models. Administration of 5-HT6R agonists was more ambiguous—in naive animals, it did not alter memory or produce slight amnesic effects, while in rodent models of memory impairment, they ameliorated the condition just like antagonists. Using the identified hit compounds 15 and 18, we tried to sort out the difference between ligands exhibiting the D2R antagonist function combined with 5-HT6R agonism, and mixed D2/5-HT6R antagonists in murine models of psychosis. 相似文献
504.
Joanna Kowalska Iwona Giska Łukasz Jedynak Beata Krasnodębska‐Ostręga Joanna Pałdyna Monika Sadowska Jerzy Golimowski 《Electroanalysis》2012,24(5):1109-1113
Voltammetric methods are very suitable and versatile techniques for the simultaneous metal determination in complex matrices after thorough mineralization. In the presented work, voltammetric methods were used as reference methods in the preparation process of control plant material. Determination of As, Pt, Tl and other elements (Cd, Cu, Pb, Zn) in plant material prepared in our laboratory is described. For quantitative determination of the elements two independent analytical methods were applied. To obtain plant material containing As, Pt and Tl white mustard (Sinapis alba L.) was hydroponically cultivated under controlled conditions in a nutrient solution with addition of As, Pt and Tl salts. 相似文献
505.
Lyczko K Narbutt J Paluchowska B Maurin JK Persson I 《Dalton transactions (Cambridge, England : 2003)》2006,(33):3972-3976
The crystal structure of bis(acetylacetonato)lead(II) and the structure of the acetylacetone solvated lead(II) ion in solution have been determined by single-crystal X-ray diffraction and large-angle X-ray scattering (LAXS), respectively. The acetylacetone is deprotonated and acts as a bidentate anionic ligand (acac-) in the solid Pb(acac)2 compound. The lead(II) ion binds four oxygen atoms strongly in a nearly flat pyramidal configuration with Pb-O bond lengths in the range 2.32-2.37 A, and additionally three oxygens from neighboring complexes at 3.01-3.26 A. Acetylacetone acts as a solvent (Hacac) at dissolution of lead(II) trifluoromethanesulfonate forming a pentasolvate with a mean Pb-O bond distance of 2.724(5) A. The 6s2 lone electron pair on the lead(II) ion becomes stereochemically active in the crystalline acetylacetonate complex, while it is inactive in the solvate in solution. The solution was also analysed using IR and 1H NMR spectroscopy. 相似文献
506.
Analysis of small samples of lanthanum-doped lead zirconate titanate (PLZT) by wavelength-dispersive X-ray fluorescence spectrometry (WDXRF) is presented. The powdered material in ca. 30 mg was suspended in water and collected on the membrane filter. The pure oxide standards (PbO, La2O3, ZrO2 and TiO2) were used for calibration. The matrix effects were corrected using a theoretical influence coefficients algorithm for intermediate-thickness specimens. The results from XRF method were compared with the results from the inductively coupled plasma optical emission spectrometry (ICP-OES). Agreement between XRF and ICP-OES analysis was satisfactory and indicates the usefulness of XRF method for stoichiometry determination of PLZT. 相似文献
507.
New and efficient conditions for the synthesis of meso-substituted corroles were developed. The first step, involving the reaction of aldehydes with pyrrole, was carried out in a water-methanol mixture in the presence of HCl. A relatively narrow distribution of aldehyde-pyrrole oligocondensates was obtained through careful control of their solubility in the reaction medium. After thorough optimization of various reaction parameters (cosolvent, reagent, and acid concentration), high yields of bilanes were obtained. Additionally, the bilane derived from 4-cyanobenzaldehyde was isolated, and the oxidative macrocyclization reaction was performed under various reaction conditions (different solvents, different concentrations, and various oxidants). As a result, triphenylcorrole was obtained in the highest yield (32%) reported to date. The scope and limitations studied showed that this method was particularly efficient for moderately reactive aldehydes and those bearing electron-donating groups (yields 14-27%). Using these conditions, corroles bearing strongly electron-donating groups were obtained for the first time. In addition, it was found that the reaction of unhindered dipyrromethanes with aldehydes under analogous conditions afforded trans-A2B-corroles in very high yields (45-56%; 8-fold higher than previously reported) without scrambling. The fact that scrambling was not observed in this reaction despite a very high HCl concentration (0.3 M) is unprecedented. Detailed studies on the oxidation of bilane, derived from sterically hindered dipyrromethane, allowed us to unequivocally establish that the yield of macrocyclization is insensitive to the concentration. It was found the 1H NMR spectra of corroles in deuterated TFA gave very sharp signals. 相似文献
508.
Beata Orlińska 《Tetrahedron letters》2010,51(31):4100-154
Catalytic systems consisting of N-hydroxyphthalimide in combination with copper(II), cobalt(II) and manganese(II) acetylacetonate, acetate or chloride were applied to the oxidation of cumene with oxygen. The use of these catalytic systems decreases cumyl hydroperoxide selectivity as a result of the decomposition reaction of hydroperoxide to 2-phenyl-2-propanol and acetophenone. It has been demonstrated that the use of N-hydroxyphthalimide in combination with copper salts at 60 °C results in high alcohol content whereas ketone is the major product at 90 °C. The results can be used to develop a method for alcohol or ketone synthesis from other isopropyl-aromatic hydrocarbons. 相似文献
509.
Zimnicka M Wileńska B Sekiguchi O Uggerud E Danikiewicz W 《Journal of mass spectrometry : JMS》2012,47(4):425-438
Gas-phase reactions of isomeric nitrophenide ions and p-halonitrophenide ions with acrylonitrile, methyl acrylate, and ethyl acrylate have been studied using mass spectrometry and computational methods. Depending on the structure of the α,β-unsaturated compound, formation of adducts to the carbonyl group of the acrylate (for methyl acrylate and ethyl acrylate) and β-adducts (adducts of p-halonitrophenide ions to α,β-unsaturated compounds in β position) was observed. Further transformations of these adducts lead to the products of elimination of an alcohol molecule and the anionic products of intramolecular substitution of a halogen atom, respectively. 相似文献
510.