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1.
We review work performed by our group on vibrational spectroscopy of water and aqueous solutions of strong II-I electrolytes at high concentrations. Evidence shall be presented for the existence of intermediate range, solute-connected, ordered patches, whose collective vibrational modes yield a continuous vibrational density of states, as in amorphous solids. We shall review Raman and inelastic neutron scattering results, obtained for electrolytes such as ZnCl2, NiCl2, CuBr2, CdCl2. Other results, such as EXAFS, viscosity and ultrasonic attenuation will also be discussed. 相似文献
2.
AbstractExperimental studies conducted on some species of Mediterranean red algae allowed to identify Sphaerococcus coronopifolius Stackhouse as a valid alternative to the Pacific alga Gloiopeltis furcata (Postels & Ruprecht) J. Agardh, for the extraction of a material usable as natural consolidant and adhesive in the field of restoration. Promising results have been observed by comparing the extracts obtained from these two algae after the same extraction procedure. Chemical analysis (FTIR) revealed that S. coronopifolius has qualities similar to G. furcata. Even more promising results for S. coronopifolius compared to G. furcata were observed after the analysis of pH and conductivity, and the adhesion tests carried out on both extracts. 相似文献
3.
Alfonso Pedone Gianluca Malavasi Alastair N. Cormack Ulderico Segre M. Cristina Menziani 《Theoretical chemistry accounts》2008,120(4-6):557-564
This paper shows recent progresses in the field of computer simulations of inorganic glasses. Molecular dynamics simulations and energy minimization methods have been applied to calculate the elastic and transport properties of alkali silicate glasses of compositions xM2O · (100 ? x)SiO2 (with x = 0, 10, 15, 20, 25, 30 % mol for M = Li, Na and K) and of a soda-lime glass with composition 15Na2O · 10CaO · 75SiO2, which has been employed to ascertain the effect of the replacement of CaO for Na2O. The excellent agreement of the computed results with the experimental data highlights the important predictive and interpretative role reached by computer simulations techniques. 相似文献
4.
Ottaviani MF Retini G Cangiotti M Mangani F Segre U 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2002,58(6):1129-1141
Electron paramagnetic resonance (EPR) has been used to investigate the adsorption capability and the surface interacting ability towards Cu(II) solutions (CuCl2, Cu(NO3)2, CuSO4 in water or ethanol) of various carbon blacks, both graphitized and ungraphitized, selected on the basis of the surface area, namely, Carbograph1 (area = 100 m2/g), Carbograph4 (area = 210 m2/g), and Carbograph5 (area = 560 m2/g), which were indicated as C1g, C4g, C5g (g = graphitized), and C1ng, C4ng, C5ng (ng = ungraphitized). The EPR analysis was supported by surface analysis, for evaluating the surface area, the pore volume and the porosity, and by atomic absorption to obtain the adsorbed Cu(II) amounts. Graphitization provokes a decrease in surface area, but C1g, at low surface area, showed a unexpected increase of the adsorption ability ascribed to the formation of new surface porosity closed by graphite layers. The carbon samples showed a broad unresolved EPR signal due to mobile unpaired electrons in the carbon matrix. Graphitized samples presented a narrower signal than ungraphitized samples, which increases in width with the increase in surface area (with the exception of C5ng due to the high exposition of the wide surface to oxydizing external agents) and upon prolonged thermal treatment. The signal intensity of the carbon paramagnetic centers decreases upon Cu(II) adsorption. Computer aided analysis of the EPR spectra of the solids after Cu(II) adsorption allowed to extract structural information on the Cu-surface site complexes. The Cu2+ ions coordinated with surface polar sites, mainly oxygenated. Adsorption depends on the different Cu(II) salts, caused by the salt solubility and the interacting ability of the counter-ion. In several cases the solutions concentrated in the carbon porosity leading to precipitation of the salt. Ethanol solutions are more adsorbed at the carbon surface than water solutions; Cu(II) partially retains its solvation shell and partially presents electron transfer to the carbon surface. Adsorption is favored to ungraphitized carbons with respect to the graphitized ones due to both the higher surface area, and the higher hydrophilicity of the surface. In summary, these carbon powders, widely used for chromatographic applications, show an adsorption capability towards Cu(II) solutions higher than expected due to both a definite porosity, and the presence of polar groups which are not eliminated with chemical surface treatments. 相似文献
5.
Transition Metal Chemistry - 相似文献
6.
Lusvardi G Malavasi G Menabue L Menziani MC Pedone A Segre U 《The journal of physical chemistry. B》2005,109(46):21586-21592
An automatic tool (named CLUSTER) for the prediction of the most probable crystal phases that can separate from glasses has been developed. The program analyzes the output of molecular dynamics simulations of glasses or glass ceramics, systematically sampling the ratios of the ions in different portions of the simulation box and comparing them to the stoichiometric ratio of compositionally equivalent crystalline phases retrieved from a crystal structure database. The efficacy of the similarity index elaborated has been judged by comparing the results obtained with the crystal phases identified by XRD analysis after thermal treatment in a series of multicomponent potential bioactive glasses and glass ceramics for which the advantages of rational-designed erosion-controlled release is straightforward. 相似文献
7.
Ulderico Mazzi Edoardo Roncari Roberto Rossi Valerio Bertolasi Orazio Traverso Luciano Magon 《Transition Metal Chemistry》1980,5(1):289-293
Summary The reactions of ReOX3(PPh3)2 (X = CI or Br) withN-methylsalicylideneimine (Me-saIH),N-phenylsalicylideneimine (Ph-saIH),N,N-ethylenebis(salicyli(leneimine) [(SaIH)2en] and 8-hvdroxyquinoline (Oxinell) are here reported. They give rise to the ReOX2(Me-sal)PPh2. ReOX-(Me-sal)2, ReOX2(Ph-sal)PPh3, ReOX(Ph-sal),, Re2O2X4-(Sal2en)(PPh3)2, ReOX2(Oxine)PPh, and ReOX(Oxine)2 complexes. 相似文献
8.
Giorgio Moro Pier Luigi Nordio Ulderico Segre 《Molecular Crystals and Liquid Crystals》2013,570(1-3):113-118
Expressions are given for the translational diffusion parameters of non-spherical solutes in nematic and smectic-A phases, as measured by magnetic field gradient spin-echo NMR. 相似文献
9.
Summary This paper presents a numerical method to compute the nonlinear wave resistance of a body, submerged in a free stream of infinite depth. The solution is given in the form of a potential of single layer and the nonlinear boundary conditions on the free surface are fulfilled by means of an iterative procedure. Results are shown for the 2-D case of an elliptical cylinder and for the 3-D case of prolate spheroids. All the presented results are discussed taking into account some experimental data and analytical solutions available in literature.
Sommario In questo lavoro viene sviluppato un metodo per il calcolo della resistenza ondosa di corpi immersi bidimensionali e tridimensionali, tenendo conto della non linearità delle condizioni sulla superficie libera. La soluzione cercata è posta nella forma di potenziale di strato semplice e la non linearità presente nelle condizioni al contorno viene trattata con un procedimento iterativo. Vengono presentati dei risultati numerici relativi al caso bidimensionale di un cilindro ellittico ed al caso tridimensionale di sferoidi prolati di diversa eccentricità. I risultati vengono discussi in relazione a soluzioni analitiche e dati sperimentali ottenuti dalla letteratura.相似文献
10.
Corsaro C Crupi V Majolino D Parker SF Venuti V Wanderlingh U 《The journal of physical chemistry. A》2006,110(3):1190-1195
The vibrational dynamics of water molecules encapsulated in synthetic Na-A and Mg-exchanged A zeolites were studied versus temperature by inelastic neutron scattering (INS) measurements (30-1200 cm(-1)) as a function of the induced ion-exchange percentage by using the indirect geometry tof spectrometer TOSCA at the ISIS pulse neutron facility (RAL, UK). The experimental INS spectra were compared with those of ice Ih to characterize the structural changes induced by confinement on the H2O hydrogen-bonded network. We observed, after increasing the Mg2+ content, a tendency of water molecules to restore the bulklike arrangements together with more hindered dynamics. These results are confirmed by the analysis of the evaluated one-phonon amplitude-weighted proton vibrational density of states aimed, in particular, to follow the evolution of the water molecules librational mode region. 相似文献