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71.
The possibility provided by Chemometrics to extract and combine (fusion) information contained in NIR and MIR spectra in order to discriminate monovarietal extra virgin olive oils according to olive cultivar (Casaliva, Leccino, Frantoio) has been investigated.Linear discriminant analysis (LDA) was applied as a classification technique on these multivariate and non-specific spectral data both separately and jointly (NIR and MIR data together).In order to ensure a more appropriate ratio between the number of objects (samples) and number of variables (absorbance at different wavenumbers), LDA was preceded either by feature selection or variable compression. For feature selection, the SELECT algorithm was used while a wavelet transform was applied for data compression.Correct classification rates obtained by cross-validation varied between 60% and 90% depending on the followed procedure. Most accurate results were obtained using the fused NIR and MIR data, with either feature selection or data compression.Chemometrical strategies applied to fused NIR and MIR spectra represent an effective method for classification of extra virgin olive oils on the basis of the olive cultivar. 相似文献
72.
Jose Antonio Ayllon Monica Lira-Cantu 《Applied Physics A: Materials Science & Processing》2009,95(1):249-255
The effects of oxygen content in the sputtering gas on the crystallographic and optoelectronic properties of 210 nm-thick
Zr–doped In2O3 (Zr–In2O3) films by rf magnetron sputtering were initially studied. The results of X-ray diffraction show that the Zr–In2O3 films grown on glass substrates exhibit mixed crystallographic orientations. Moreover, the Zr–In2O3 film grown in an Ar atmosphere promotes the appearance of crystallographic orientation of (222). The surface of the Zr–In2O3 film becomes rougher as the oxygen content in the sputtering gas decreases; the current images obtained by conductive atomic
force microscopy reveal that the surfaces of the Zr–In2O3 films exhibit a distribution of coexisting conducting and nonconducting regions, and that the area of the nonconducting surface
increases with the oxygen content in the sputtering gas. The resistivity is minimized to 3.51×10−4 Ω cm when the Zr–In2O3 film is grown in an Ar atmosphere and the average transmittance in the visible light region is ∼85%. The optical band gap
decreases as the oxygen content in the sputtering gas increases. 相似文献
73.
Mauro M Panigati M Donghi D Mercandelli P Mussini P Sironi A D'Alfonso G 《Inorganic chemistry》2008,47(23):11154-11165
The three complexes [Re2(mu-X1)(mu-X2)(CO)6(mu-ppd-kappaN3:kappaN4)] (X1, X2 ) H, 1; X1 ) H, X2 ) Cl, 2; X1, X2 ) Cl, 3; ppd) 2,5-diphenyl-1,3,4-oxadiazole) have been synthesized by different routes, involving the reaction of [Re4(mu3-H)4(CO)12]with ppd for 1, the reaction of 1 with HCl for 2, and the reaction of [ReCl(CO)5] with ppd for 3. The three complexes possess a different number of valence electrons, so the formal Re-Re bond order varies from 2 to 1 to 0 in complexes 1, 2, and 3, respectively. This is reflected in the Re-Re bond distance (277.9, 297.9, and 358.5 pm in the same series)and in the stability of the complexes in the coordinating solvent acetonitrile (t1/2 for ppd displacement 13.6, 4.5, and 3.7 h,for 1, 2, and 3, respectively). Both experimental and calculated structures indicates that coordination induces a distortion from planarity of the diphenyloxadiazole moiety due to the interaction of the equatorial carbonyls with the bridging ppd,which increases on going from 1 to 2 to 3 (dihedral angle between the oxadiazole and the phenyl rings 18.4 degrees, 23.3 degrees, and 45.0 degrees, respectively). The UV spectra show pi-pi* transitions of the oxadiazole ligand (which shift to higher energy on increasing the distortion from the planarity, from 252 to 267 nm) and metal-to-ligand charge transfer absorptions (from 300 to 362 nm). Upon irradiation between 340 and 380 nm, complex 2 only features a weak broad emission at 527 nm(phi)0.02%), whereas upon excitation at 300 nm, the emission typical of free ppd is observed, suggesting photodissociation.Cyclic voltammetry investigations in acetonitrile showed that the three complexes exhibit ligand-centered irreversible reduction peaks (from -1.83 to -1.93 V vs Fc+|Fc), shifted to more positive values with respect to free ppd (-2.50 V). The shift however is smaller than in the analogous derivatives containing 1,2-diazines, suggesting a smaller electron depletion of the heterocycle ligand upon coordination. The complexes also show a metal-centered, bi-electronic, irreversible oxidation peak (from 1.05 to 1.37 V vs Fc+/Fc). A combined density functional and time-dependent density functional (TD DFT)study allowed us to understand the factors affecting the stability of the three complexes and to rationalize their electrochemical and photophysical properties in terms of their electronic structure. 相似文献
74.
Hematite with different particle sizes was obtained through isothermal annealing and mechanochemical ball-milling methods.
The hematite phase is very stable under air atmosphere. The thermal stabilities of hematite under argon atmosphere were characterized
by thermal analysis studies up to 800 °C using a simultaneous DSC–TG technique. The lattice parameters a and c of hematite with different particle sizes were extracted from the Rietveld structural refinement of powder X-ray diffraction
patterns. Decomposition of hematite into a lower oxidation state in inert argon atmosphere was studied by the TG experiments
for the first time and the enthalpy associated with the decomposition reaction was determined from the DSC studies. Particle
size has a strong effect on the thermal behavior of hematite samples. Ball-milled hematite samples with smaller particle size
showed that the phase transformation was extended to higher temperature range with larger enthalpy. Hematite with larger average
particle size showed higher stability under argon atmosphere. 相似文献
75.
Monica R. Nemtanu Mirela Brasoveanu Viorica Meltzer Elena Pincu C. Oproiu 《Journal of Thermal Analysis and Calorimetry》2009,97(1):309-313
The purpose of the present work deals with the evaluation of the electron beam irradiation effects on some natural products
based on thermal analysis. Some natural products with therapeutic contributions (artichoke, sea buckthorn, common sage, stonebreaker
and cloves) were irradiated with doses up to 9 kGy using accelerated electron beam. The thermal profiles lead to identify
three phenomena: dehydration — volatilization, irreversible degradation — molecular reorganization and residue decomposition.
The radio-induced degradations determine slight shifts of the temperatures where these phenomena occur. The energetic value
of the studied products is affected by e-beam treatment depending on irradiation dose. 相似文献
76.
Pietro Franceschi Roland Thissen Odile Dutuit Christian Alcaraz Heloise Soldi-Lose Davide Bassi Daniela Ascenzi Paolo Tosi Jan Zabka Zdenek Herman Marcello Coreno Monica de Simone 《International journal of mass spectrometry》2009,280(1-3):119
The long-lived excited states of doubly charged rare gases can markedly affect their reactivity. In this paper we demonstrate the presence of strong state-specific effects in the charge exchange of Ar2+ (3P, 1D and 1S) with several neutral targets (He, Ne, Kr, Xe, D2, and CH4). State sensitive measurements have been performed by producing the different Ar2+ electronic states via tunable synchrotron radiation (Elettra-Trieste, Italy and SuperACO-Orsay, France). From the product ion yield data of charge transfer, state-selected total cross-sections have been deduced. Using the state-specific reactivity of Ar2+ towards different neutral targets, it has been possible to extract the photon-energy-dependent production branching of the three doubly charged states and to investigate the autoionization dynamics of neutral or singly charged Ar in the vicinity of the double ionization threshold. 相似文献
77.
Monica Magureanu Daniela Piroi Florin Gherendi Nicolae Bogdan Mandache Vasile Parvulescu 《Plasma Chemistry and Plasma Processing》2008,28(6):677-688
The decomposition of methylene blue (MB) in aqueous solution was investigated using a pulsed corona discharge. The discharge
was ignited in the gas bubbled in the solution through several needle electrodes. The influence of treatment time, volume
of the treated solution and initial concentration of the dye in solution on MB degradation was studied. The effect of the
nature of the gas introduced was also investigated. For the same energy input, MB conversion increased in the order air < argon < oxygen.
When using oxygen, the decomposition of MB exceeded 95% after ~20 min plasma treatment. Higher efficiency was obtained for
higher treated volume and higher initial concentration. At 90% conversion the yield obtained with oxygen was ~5 g/kWh for
an initial concentration of 150 mg/l and a treated volume of solution of 100 ml. 相似文献
78.
79.
Monica E. Bad Dumitrescu 《Annals of the Institute of Statistical Mathematics》1987,39(1):211-218
Summary The Bayesian estimation problem for the parameter θ of an exponential probability distribution is considered, when it is assumed
that θ has a natural conjugate prior density and a loss-function depending on the squared error is used. It is shown that,
with probability one, the posterior density of the Bayesian—centered and scaled parameter converges pointwise to the normal
probability density. The weak convergence of the posterior distributions to the normal distribution follows directly. Both
correct and incorrect models are studied and the asymptotic normality is stated respectively. 相似文献
80.
Serpe MJ Whitehead JR Rivera M Clark RL Craig SL 《Colloids and surfaces. A, Physicochemical and engineering aspects》2009,346(1-3):20-27
Single-molecule force spectroscopy, as implemented in an atomic force microscope, provides a rarely used method by which to monitor dynamic processes that occur near surfaces. Here, a methodology is presented and characterized that facilitates the study of polymer bridging across nanometer-sized gaps. The model system employed is that of DNA-based reversible polymers, and an automated procedure is introduced that allows the AFM tip–surface contact point to be automatically determined, and the distance d between opposing surfaces to be actively controlled. Using this methodology, the importance of several experimental parameters was systematically studied, e.g. the frequency of repeated tip/surface contacts, the area of the substrate surface sampled by the AFM, and the use of multiple AFM tips and substrates. Experiments revealed the surfaces to be robust throughout pulling experiments, so that multiple touches and pulls could be carried out on a single spot with no measurable affect on the results. Differences in observed bridging probabilities were observed, both on different spots on the same surface and, more dramatically, from one day to another. Data normalization via a reference measurement allows data from multiple days to be directly compared. 相似文献