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161.
Rotational ambiguity is a major problem in the application of soft-modeling analysis to a variety of multivariate mixture resolution problems and particularly important in the analysis of kinetic data. Soft-modeling analyses rely on constraints that restrict the concentration profiles and/or the spectral responses of all components. The main goal of this work is to demonstrate how a hard-modeling constraint on concentration profiles drastically decreases the extent of the rotational ambiguity. Therefore, in the present paper the discussion is focused on systems in which hard-modeling information is available. The results of simulated examples reveal that the utilized hard constraint decreases the rotational ambiguity in estimated concentration profile even components that do not take part in the explicit model. In addition, the rate constant of known reaction is determined in this method. 相似文献
162.
A simple, rapid and sensitive method based on microextraction in packed syringe (MEPS), in combination with gas chromatography–mass spectrometry (GC–MS) was developed. Polyaniline (PANI) nanowires network was synthesized and used as sorbent of MEPS for the multiresidue determination of selected analytes from triazine, organochlrorine and organophosphorous pesticides in aqueous samples. The PANI nanowires network was prepared using soft template technique and its characterization was studied by scanning electron microscopy (SEM). The presence of micelles in this methodology showed to be an important parameter in shaping the growing polymer. Hexadecyltrimethylammonium bromide (HTAB) was used as structure directing agent in PANI preparation procedure and this was led to the formation of nanowires with diameters ranging from 35 nm to 45 nm. The synthesized PANI nanowires network showed higher extraction capability in comparison with the bulk PANI. Important parameters influencing the extraction and desorption processes including desorption solvent, elution volume, draw–eject cycles of sample, draw–eject mode, pH effect and amount of sorbent were optimized. Limits of detection were in the range of 0.07–0.3 ng mL−1 using time scheduled selected ion monitoring (SIM) mode. The linearity of method was in the range from 0.5–200 ng mL−1 to 0.2–1000 ng mL−1. The method precision (RSD %) with three replicates were in the range of 5.3–18.4% at the concentration level of 5 ng mL−1. The developed method was successfully applied to the Zayandeh-rood river water samples and the matrix factor obtained for the spiked real water samples were in the range of 0.79–0.94. 相似文献
163.
A headspace adsorptive microextraction technique was developed using a novel polyaniline-nylon-6 (PANI-N6) nanofiber sheet, fabricated by electrospinning. The homogeneity and the porosity of the prepared PANI-N6 sheet were studied using the scanning electron microscopy (SEM) and nanofibers diameters were found to be around 200 nm. The novel nanofiber sheet was examined as an extracting medium to isolate some selected chlorobenzenes (CBs), as model compounds, from aquatic media. The extracted analytes were desorbed using μL-amounts of solvent and eventually an aliquot of extractant was injected into gas chromatography–mass spectrometry (GC–MS). Various parameters affecting the extraction and desorption processes were optimized. The developed method proved to be convenient and offers sufficient sensitivity and a good reproducibility. Limits of detection achieved for CBs with the developed analytical procedure ranged from 19 to 33 ng L?1, while limits of quantification were from 50 to 60 ng L?1. The relative standard deviations (RSD) at a concentration level of 0.1 ng mL?1 and 1 ng mL?1 were in the range of 8–14% and 5–11% (n = 3), respectively. The calibration curves of analytes were investigated in the range of 50–1000 ng L?1 and R2 between 0.9739 and 0.9932 were obtained. The developed method was successfully applied to the extraction of selected CBs from tap and river water samples. The relative recovery (RR) percentage obtained for the spiked real water samples at 0.1 ng mL?1 and 1 ng mL?1 level were 93–103% and 95–104%, respectively. The whole procedure showed to be conveniently applicable and quite easy to handle. 相似文献
164.
Recently, energy condition inequalities in the context of modified Gauss-Bonnet gravity have been derived in Garcia et al. (Phys. Rev. D, 83:104032, 2011). Using these general inequalities, we examine the viability of specific forms of f(G) models proposed in De Felice and Tsujikawa (Phys. Lett. B, 675:1, 2009) that can be responsible for the late-time cosmic acceleration following the matter era. In doing so we also use the recent estimated values of the deceleration, jerk and snap parameters to obtain the bounds from the weak and strong energy conditions on the parameters of the above mentioned forms of f(G) gravity theories. 相似文献
165.
Mahdi Sadeghi Zeanab Ansari Tayeb Kakavand 《Journal of Radioanalytical and Nuclear Chemistry》2012,293(1):7-12
The radionuclide vanadium-48 (T 1/2?=?16?d, ?? +=?49.5?%) could be employed to positron emission tomography. In this Study, 48V excitation function for the nat/49/48Ti(p,x)48V and the 48Ti(d,2n)48V nuclear reactions were calculated by ALICE/ASH code. Then recommended thickness of the targets according to the SRIM-2010 code was calculated; consequently, the theoretical integral yields were computed for all reactions by the computer software. As a result, the 48Ti(p,n)48V reaction was determined as the best reaction. Ti target was prepared by sedimentation method to produce 48V throughout accelerator proton bombardment. 相似文献
166.
Mahdi Sadeghi Nadia Zandi Mahdi Bakhtiari 《Journal of Radioanalytical and Nuclear Chemistry》2012,292(2):777-783
61Cu is positron emitter and can be used as the PET and molecular imaging. In this study cyclotron production of 61Cu via 61Ni(p,n)61Cu, natNi(p,x)61Cu, natNi(d,x)61Cu, natNi(α,x)61Cu, natZn(p,x)61Cu and 59Co(α,2n)61Cu reactions was investigated. The ALICE/ASH (hybrid and GDH models) and TALYS-1.2 codes were used to calculate excitation
functions for proton, alpha and deuteron induced on natNi, proton on 61Ni and natZn and also alpha-particle on 59Co targets that lead to the production of 61Cu radioisotopes using intermediate energy accelerators. In addition, we compared the data obtained from in this study with
the reported measurement by experimental data. Moreover, optimal thickness of the targets and physical yield were obtained
by stopping and range of ions in matter code for each reaction. Eventually 61Ni(p,n)61Cu and 59Co(α,2n)61Cu reaction to produce 61Cu in no-carrier added state with high production yield was suggested. Finally the natNi(p,x)61Cu reaction was employed to test the target preparation using electroplating technique. 相似文献
167.
Reza Izadi Najafabadi Mohammad Reza Housaindokht Mohammad Sadegh Sadeghi Googheri Mohsen Sargolzaei Mohammad Izadyar 《International journal of quantum chemistry》2012,112(14):2675-2680
In this study we have calculated the acidity constant (pKa) of imidazole ring in Histidine‐Hydrophobic amino acid dipeptides using the quantum chemistry and continuum solvation methods. Density functional theory calculations with the large basis sets are used to determine the Gibbs free energy of deprotonate in the gas and liquid phases. Based on our results ΔGS values are located between ?69.38 and ?18.82 kcal mol?1 which are related to His+–Gly and His forms, respectively. pKa of the dipeptides in the aqueous phase was obtained from the calculated gas‐phase and solvation free energies through a thermodynamic cycle and the solvation model chemistry of Martin Karplus et al. Solvation effects are treated using a self‐consistent reaction field formalism involving polarized continuum models. According to our calculations pKa values are between 5.50 and 8.19 that are belong to His+–ILe and His+–Ala forms, respectively. Natural bond orbital analysis of dipeptides reveals that the electron delocalization in imidazole ring is the most effective factor in determination of acidity order for these compounds. Structural analysis confirmed that the orientation of carbonyl group with respect to imidazole ring is an effective factor in imidazole ring stability. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2011 相似文献
168.
Fereshteh Chekin Jahan‐Bakhsh Raoof Samira Bagheri Sharifah Bee Abd Hamid 《中国化学会会志》2012,59(11):1461-1467
We report a simple and effective strategy for fabrication of the nanocomposite containing chitosan (CS) and multiwall carbon nanotube (MWNT) coated on a glassy carbon electrode (GCE). The characterization of the modified electrode (CS‐MWNT/GC) was carried out using scanning electron microscopy (SEM) and UV–vis absorption spectroscopy. The electrochemical behavior of CS‐MWNT/GC electrode was investigated and compared with the electrochemical behavior of chitosan modified GC (CS/GC), multiwalled carbon nanotube modified GC (MWNT/GC) and unmodified GC using cyclic voltammetry (CV) and electron impedance spectroscopy (EIS). The chitosan films are electrochemically inactive; similar background charging currents are observed at bare GC. The chitosan films are permeable to anionic Fe(CN)63?/4? (FC) redox couple. Electrochemical parameters, including apparent diffusion coefficient for the Fe(CN)63?/4? redox probe at FC/CS‐MWNT/GC electrode is comparable to values reported for cast chitosan films. This modified electrode also showed electrocatalytic effect for the simultaneous determination of D‐penicillamine (D‐PA) and tryptophan (Trp). The detection limit of 0.9 μM and 4.0 μM for D‐PA and Trp, respectively, makes this nanocomposite very suitable for determination of them with good sensitivity. 相似文献
169.
S. Bagheri 《Journal of Mathematical Sciences》2012,186(5):701-705
We discuss quasi-Hopf algebras as introduced by Drinfeld and generalize the Hom-tensor adjunctions from the Hopf case to the quasi-Hopf setting, making the module category over a quasi-Hopf algebra H into a biclosed monoidal category. However, in this case, the unit and counit of the adjunction are not trivial and should be suitably modified in terms of the reassociator and the quasi-antipode of the quasi-Hopf algebra H. In a more general case, for a comodule algebra $ \mathcal{B} $ over a quasi-Hopf algebra H, the module category over $ \mathcal{B} $ need not to be monoidal. However, there is an action of a monoidal category on it. Using this action, we consider some kind of tensor and Hom-endofunctors of module category over $ \mathcal{B} $ and generalize some Hom-tensor relations from module category on H to this module category. 相似文献
170.
In this paper we introduce the notion of a von Neumann-Schatten p-frame in separable Banach spaces and obtain some of their characterizations. We show that p-frames and g-frames are a class of von Neumann-Schatten p-frames. 相似文献