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31.
Jian Shen Jonathon B. Clemens Evgueni A. Chagarov Darby L. Feldwinn Wilhelm Melitz Tao Song Sarah R. Bishop Andrew C. Kummel Ravi Droopad 《Surface science》2010,604(19-20):1757-1766
The structural and electronic properties of group III rich In0.53Ga0.47As(001) have been studied using scanning tunneling microscopy/spectroscopy (STM/STS). At room temperature (300 K), STM images show that the In0.53Ga0.47As(001)–(4 × 2) reconstruction is comprised of undimerized In/Ga atoms in the top layer. Quantitative comparison of the In0.53Ga0.47As(001)–(4 × 2) and InAs(001)–(4 × 2) shows the reconstructions are almost identical, but In0.53Ga0.47As(001)–(4 × 2) has at least a 4× higher surface defect density even on the best samples. At low temperature (77 K), STM images show that the most probable In0.53Ga0.47As(001) reconstruction is comprised of one In/Ga dimer and two undimerized In/Ga atoms in the top layer in a double (4 × 2) unit cell. Density functional theory (DFT) simulations at elevated temperature are consistent with the experimentally observed 300 K structure being a thermal superposition of three structures. DFT molecular dynamics (MD) show the row dimer formation and breaking is facilitated by the very large motions of tricoodinated row edge As atoms and z motion of In/Ga row atoms induced changes in As–In/Ga–As bond angles at elevated temperature. STS results show there is a surface dipole or the pinning states near the valence band (VB) for 300 K In0.53Ga0.47As(001)–(4 × 2) surface consistent with DFT calculations. DFT calculations of the band-decomposed charge density indicate that the strained unbuckled trough dimers being responsible for the surface pinning. 相似文献
32.
Evgueni Antipov Yuri Podolsky Nikolai Platé Manfred Stamm Erhard W. Fischer 《Journal of Macromolecular Science: Physics》2013,52(4):431-450
Abstract The structure, phase composition, and temperature behavior of two trans-1,4-polybutadienes (TPBs) were studied by means of x-ray scattering and differential scanning calorimetry (DSC) techniques. The two samples examined were (1) PB synthesized using an immobilized titanium-magnesium catalyst and (2) a random copolymer based on PB prepared with a homogeneous vanadium-containing catalyst used as a reference material. It was found that the nascent structure of the first PB involves three phases: crystalline, mesomorphic (low-temperature form), and amorphous. In the vicinity of 65°C, a first-order phase transition occurs. The system becomes biphasic and contains the high-temperature form of the mesophase, as well as the amorphous phase, component. Above 165°C, the polymer melts to form a single-phase isotropic melt with a structure typical of liquids. The lateral dimension of crystallites reversibly changes at the crystal-mesophase transition. It is suggested that during annealing of the mesophase formed by cooling of the isotropic melt, the chains acquire an extended conformation. Loss of regularity of the structure of macromolecules of TPB causes a reduction of phase transition temperatures, an increase of the imperfection of the crystalline phase, and a contraction of the temperature range of existence of the mesophase. 相似文献
33.
We have studied the possibility to detect vector mesons via their decay into μ+μ− pairs in heavy-ion collisions at FAIR with a muon detection system as part of the Compressed Baryonic Matter (CBM) experiment.
The text was submitted by the authors in English. 相似文献
34.
Rostislav Černý Stefan Funken Evgueni Spodarev 《Methodology and Computing in Applied Probability》2008,10(1):23-37
The Boolean model of Wiener sausages is a random closed set that can be thought of as a random collection of parallel neighborhoods
of independent Wiener paths in space. It describes e.g. the target detection area of a network of sensors moving according
to the Brownian dynamics whose initial locations are chosen in the medium at random. In the paper, the capacity functional
of this Boolean model is given. Moreover, the one- and two-point coverage probabilities as well as the contact distribution
function and the specific surface area are studied. In and , the one- and two-point coverage probabilities are calculated numerically by Monte Carlo simulations and as a solution of
the heat conduction problem. The corresponding approximation formulae are given and the error of approximation is analyzed.
Research supported by the grant GACR 201/06/0302. 相似文献
35.
36.
Fluorescent conjugated polymers are an attractive basis for the design of low detection limit sensing devices owing to their intrinsic signal amplification capability. A simple and universal method to rationally control or fine-tune the chemodetection selectivity of conjugated polymer materials toward a desired analytical target would further benefit their applications. In a quest of such a method we investigated a general approach to cross-linked molecularly imprinted fluorescent conjugated polymer (MICP) materials that possess an intrinsic capability for signal transduction and have potential to enhance selectivity and sensitivity of sensor devices based on conjugated polymers. To study these capabilities, we prepared an MICP material for the detection of 2,4,6-trinitrotoluene and related nitroaromatic compounds. We found the imprinting effect in this material to be based on analyte shape/size recognition being substantial and generally overcoming other competing thermodynamically determined trends. The described molecularly imprinted fluorescent conjugated polymers show remarkable air stability and photostability, high fluorescence quantum yield, and reversible analyte binding and therefore are advantageous for sensing applications due to the ability to "preprogram" their detection selectivity through a choice of an imprinted template. 相似文献
37.
Evgueni L. Piatnitski Kurt D. Deshayes 《Angewandte Chemie (International ed. in English)》1998,37(7):970-972
Cleavage of one of the four bridging units in the two new types of hemicarceplexes presented here is sufficient to effect immediate guest release into the chloroform solvent (shown schematically on the right). The thermal stability and photoactivity of these hemicarceplexes indicate that incarceration is potentially useful for the controlled delivery of drugs. 相似文献
38.
Beyond Stereoselectivity,Switchable Catalysis: Some of the Last Frontier Challenges in Ring‐Opening Polymerization of Cyclic Esters 下载免费PDF全文
Dr. Sophie M. Guillaume Dr. Evgueni Kirillov Dr. Yann Sarazin Prof. Dr. Jean‐François Carpentier 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(22):7988-8003
Metal‐based catalysts and initiators have played a pivotal role in the ring‐opening polymerization (ROP) of cyclic esters, thanks to their high activity and remarkable ability to control precisely the architectures of the resulting polyesters in terms of molar mass, dispersity, microstructure, or tacticity. Today, after two decades of extensive research, the field is slowly reaching maturity. However, several challenges remain, while original concepts have emerged around new types or new applications of catalysis. This Review is not intended to comprehensively cover all of these aspects. Rather, it provides a personal overview of the very recent progress achieved in some selected, important aspects of ROP catalysis—stereocontrol and switchable catalysis. Hence, the first part addresses the development of new metal‐based catalysts for the isoselective ROP of racemic lactide towards stereoblock copolymers, and the use of syndioselective ROP metal catalysts to control the monomer sequence in copolymers. A second part covers the development of ROP catalysts—primarily metal‐based catalysts, but also organocatalysts—that can be externally regulated by the use of chemical or photo stimuli to switch them between two states with different catalytic abilities. Current challenges and opportunities are highlighted. 相似文献
39.
Barrière F Fabre B Hao E Lejeune ZM Hwang E Garno JC Nesterov EE Vicente MG 《Macromolecules》2009,42(8):2981-2987
Carborane-functionalized conducting polymer films have been electrogenerated in dichloromethane from the anodic oxidation of ortho- (1), meta- (3) and para-carborane (4) isomers linked to two 2-thienyl units. The corresponding electrochemical response was characterized by a broad reversible redox system corresponding to the p-doping/undoping of the polythiophene backbone, the formal potential of which increased in the order poly(1) < poly(3) < poly(4), from ca. 0.50 to 1.15 V vs Ag/Ag(+) 10(-2) M. From further UV-visible spectroscopy analysis, the optical band gap was estimated at 1.8, 2.0 and 2.2 eV for poly(1), poly(3) and poly(4), respectively. The more conjugated and electroconductive character of poly(1) is ascribed to a more planar conformation of the conjugated backbone resulting from an intramolecular β-β' cyclization reaction in the monomer, consequently yielding a fused conjugated polymer. Molecular modeling calculations using the DFT method support this hypothesis. The surface topography and maps of the conductive domains of the electropolymerized films were evaluated by conducting probe AFM. The three polymers exhibit fairly similar morphological characteristics and a surface roughness of ~2 nm. Current-voltage (I-V) characteristics of conducting AFM tip-carborane polymer-ITO junctions showed that poly(1) had the highest conductivity. 相似文献
40.