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101.
A non-Markovian version of the quantal Brownian motion model is given. The integrodifferential equations of motion are solved, establishing the analytic form of the resolvent poles and analyzing their properties. An explicit investigation of the poles at zero temperature is performed. In this frame a rule can be found that relates the relevant poles of the non-Markovian resolvent to the eigenvalues of the associated Markovian generator of the motion. 相似文献
102.
Franco Cataldo 《Journal of Radioanalytical and Nuclear Chemistry》2018,318(3):1649-1661
The RNA nucleosides, namely adenosine, cytidine, guanosine and uridine were γ-radioyzed in solid state and in vacuo at room temperature to a total dose of 3.2 MGy. Through electronic absorption spectroscopy, differential scanning calorimetry and through polarimetry and optical rotatory dispersion spectroscopy, it was found that the purine-based nucleosides (adenosine and guanosine) show a much higher radiolysis resistance than the pyrimidine-based nucleosides (cytidine and uridine). In an astrochemical/astrobiological context, these results may explain why purine nucleobases are found in practically all carbonaceous chondrite meteorites while the pyrimidine nucleobases are absent or below the detection limits of the current analytical techniques. In the hypothesis that both purines and pyrimidines nucleobases were present in certain bodies at the beginning of the solar system 4.6?×?109 years ago, the radiolysis due to radionuclides decay has destroyed more easily and completely the pyrimidine bases due to their much lower radiolysis resistance than the purine bases. 相似文献
103.
Chang-Kyu Kim Francesco Debellis Cataldo A. Maggiulli 《Journal of heterocyclic chemistry》1987,24(2):325-328
A new synthesis of 3-anilino-1-aryl-2-pyrazolin-5-ones in which the pyrazolinone ring is built via N? N bond formation is described. 2-Cyano-2′,4′,6′-trichloroacetanilide 1 was converted to imino ether hydrochloride 2 which was reacted with anilines in methanol to produce N-arylimino ether 3a,b. Reaction of these N-arylimino ethers with hydroxylamine gave N-arylamidoximes 4a,b . An 1,2,4-oxadiazol-5-one 6a was prepared from the N-arylamidoxime 4a and subjected to base-induced rearrangement. The desired 3-anilino-pyrazolinone 7a was obtained only in a very low yield. However, O-acetylation of the N-arylamidoximes 4a,b followed by acid-catalyzed ring closure and rearrangement in the presence of excess acetic anhydride gave a mixture of N-acetylanilinopyrazolinones (e.g. 10 ) and 4-acetyloxy-3-N-acetylanilinopyrazoles (e.g. 12 ) which upon acid hydrolysis afforded the 3-anilinopyrazolinones 7a,b in better yield. 相似文献
104.
Bellotti R Cafagna F Circella M De Cataldo G De Marzo CN Giglietto N Spinelli P Golden RL Stephens SA Stochaj SJ Webber WR De Pascale MP Morselli A Picozza P Ormes JF Streitmatter RE Massimo Brancaccio F Papini P Piccardi P Spillantini P Basini G Bongiorno F Ricci M Brunetti MT Codino A Grimani C Menichelli M Salvatori I 《Physical review D: Particles and fields》1996,53(1):35-43
105.
Catia de Bonis Cataldo Simari Vasiliki Kosma Barbara Mecheri Alessandra D’Epifanio Valentina Allodi Gino Mariotto Sergio Brutti Sophia Suarez Kartik Pilar Steve Greenbaum Silvia Licoccia Isabella Nicotera 《Journal of Solid State Electrochemistry》2016,20(6):1585-1598
An organically functionalized titania, TiO2-RSO3H, was evaluated as filler in sulfonated polyetheretherketone (sPEEK)-based composite membranes for application in high temperature direct methanol fuel cells. The presence of propylsulfonic acid groups covalently bound onto the TiO2 surface and the nanometric nature of the additive were analyzed by Raman spectroscopy and transmission electron microscopy, respectively. The properties of the sPEEK/TiO2-RSO3H composite membranes were compared with those of the pure sPEEK membranes and those of the sPEEK/TiO2 composite membranes containing pristine titania nanoparticles at same filler content. Water and methanol transport properties were investigated by NMR methods, including relaxation times and self-diffusion coefficients as function of temperature (up to 130 °C), and pressure (from 0 up to 2 kbar). The incorporation of the nanoadditivies in the sPEEK polymer demonstrates considerable effects on the morphology and stiffness of the membranes, as well as on the transport properties and barrier effect to the methanol crossover. In particular, the functionalization by propylsulfonic acid groups promotes a higher reticulation between the polymeric chains, increasing the tortuosity of the methanol diffusional paths, so reducing the molecular diffusion, while the proton mobility increases being favored by the Grotthus-type mechanism. Conductivity measurements point out that the filler surface functionalization avoids the reduction of the overall proton conduction of the electrolyte due to the embedding of the low-conducting TiO2. Finally, remarkable improvements were found when using the sPEEK/TiO2-RSO3H composite membrane as electrolyte in a DMFC, in terms of reduced methanol crossover and higher current and power density delivered. 相似文献
106.
Cataldo Simari Vincenzo Baglio Carmelo Lo Vecchio Antonino S. Aricò Raffaele G. Agostino Luigi Coppola Cesare Oliviero Rossi Isabella Nicotera 《Ionics》2017,23(8):2113-2123
Hybrid nanomaterial based on the combination between a 2D silicate structure of a smectic clay (SWy) and 1D structures of carbon nanotubes has been synthesized and used as additive in the polymer matrix of Nafion for the preparation of electrolyte nanocomposite membranes. The CNTs anchored on the clay’s lamellae were subsequently oxidized and organo-functionalized by sulphonic groups. The hybrid membranes have been tested in direct methanol fuel cells (DMFCs) and studied by NMR spectroscopy (pulse field gradient technique and relaxation times), electrochemical impedance spectroscopy and SEM microscopy. The study of the molecular dynamics of methanol and protons, as well as the tests in the DMFC, shows the effectiveness of these “branched particles” for the reduction of the methanol crossover, whilst ensuring appropriate proton conductivity, especially in conditions of low humidity and high temperature (>100 °C). 相似文献
107.
108.
Dr. S. Maryamdokht Taimoory Dr. Vincenzo Alessandro Cataldo Dr. Andreas Schäfer Prof. John F. Trant Dr. Ryan Guterman 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(10):3440-3448
Alkylating reagents based on thioimidazolium ionic liquids were synthesized and the influence of the anion on the alkylation reaction mechanism explored in detail using both experimental and computational methods. Thioimidazolium cations transfer alkyl substituents to nucleophiles, however the reaction rate was highly dependent on anion identity, demonstrating that the anion is not innocent in the mechanism. Detailed analysis of the computationally-derived potential energy surfaces associated with possible mechanisms indicated that this dependence arises from a combination of anion induced electronic, steric and coordinating effects, with highly nucleophilic anions catalyzing a 2-step process while highly non-nucleophilic, delocalized anions favor a 1-step reaction. This work also confirms the presence of ion-pairs and aggregates in solution thus supporting anion-induced control over the reaction rate and mechanism. These findings provide new insight into an old reaction allowing for better design of cationic alkylators in synthesis, gene expression, polymer science, and protein chemistry applications. 相似文献
109.
Bonomo Flavia Cataldo Alejandro Mauttone Antonio Papa Quiroz Erik 《Annals of Operations Research》2022,316(2):723-728
Annals of Operations Research - 相似文献
110.
F. Cataldo E. Lilla O. Ursini G. Angelini 《Journal of Radioanalytical and Nuclear Chemistry》2009,279(1):31-41
C60 fullerene was radiolyzed in toluene solution both in presence of air and in vacuum at four different radiation doses 12,
24, 36, 48 and 96 kGy. Clear evidences of the addition of benzyl radicals to the fullerene cage derive from FT-IR and C13-NMR spectra of the reaction product. In presence of air the interference of oxygen is evident in the FT-IR spectra and from
the elemental analysis. A detailed analysis of the kinetics of the multiple addition of benzyl radicals to the fullerene cage
was made spectrophotometrically with the determination of the addition rate constants at the each addition step and the average
number of benzyl groups added to the fullerene cage as function of the radiation dose. 相似文献