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1.
2.
Daniel FRANCO Gennaro INFANTE Donal O'REGAN 《数学学报(英文版)》2006,22(6):1745-1750
We establish new criteria for the existence of either positive or nonzero solutions of the Urysohn integral equation. We also discuss the existence of an interval of positive eigenvalues and sufficient conditions for the existence of at least a positive eigenvalue with a nonzero or positive eigenfunction for the Urysohn integral operator. Among others, we employ techniques based on fixed point index theory for compact maps, which are new for this type of equation. 相似文献
3.
Juraj Bunta Martin Dahlberg Leif Eriksson Nikolai Korolev Aatto Laaksonen Raimo Lohikoski Alexander Lyubartsev Miroslav Pinak Patric Schyman 《International journal of quantum chemistry》2007,107(2):279-291
This work highlights four different topics in modeling of DNA: (i) the importance of water and ions together with the structure and function of DNA; the hydration structure around the ions appears to be the determining factor in the ion coordination to DNA, as demonstrated in the results of our MD simulations; (ii) how MD simulations can be used to simulate single molecule manipulation experiments as a complement to reveal the structural dynamics of the studied biomolecules; (iii) how damaged DNA can be studied in computer simulations; and (iv) how repair of damaged DNA can be studied theoretically. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007 相似文献
4.
Raimo Vuopionperä 《Zeitschrift fur Physik C Particles and Fields》1995,65(2):311-325
The production of heavy Dirac and Majorana neutrinos ine + e ? collisions is investigated. The heavy Dirac and/or Majorana neutrinos can be produced in charged and neutral current processes $(e^ + e^ - \to N_1 \bar N_2 )$ . The production of a single heavy neutrino is possible if it mixes with the light neutrino species. The production of heavy neutrinos in Higgs channels is also studied, since in some specific models the Yukawa couplings could be large enough to make the production of heavy neutrinos through Higgs boson exchanges sufficiently large for detection. The most general left-right symmetric model with possibly complexV orA couplings is used in the analytic calculations of the production cross sections, but the numerical examples are given using simplified left-right symmetric model. The interference terms between different production channels have been studied in great detail and in some cases the interference terms are found to be non-negligible in wide range of production spectrum. The pair production cross section is larger in the Dirac case than it is in the Majorana case, but the single heavy Majorana neutrino production cross section is roughly twice as large as that of a Dirac neutrino. 相似文献
5.
Summary An HPLC reversed-phase ion interaction reagent method is presented, which makes use of chiral compounds as the interaction
reagents. By employing the optical isomeric forms of malic, tartaric and mandelic acids as the interaction reagents, a good
separation of D(−) and L(+) ascorbic acid has been achieved. The method has also been applied to the identification of vitamin
C in some medical formulations. The separation of te enantiomeric forms of DL malic acid has been attempted and a shor discussion
is presented about the elution sequence in chromatographic separation of D- and L-enantiomers. 相似文献
6.
The aim of the work was to find a suitable method and conditions for determining Na(2)O wt.% from NaAlO(2). Problems were encountered while titrating NaAlO(2) with hydrochloric acid. The problematic area was the pH range 4-10 where aluminum precipitates as hydroxides. The different species of the aluminate solution were determined using potentiometric and complexometric titrations. The equivalent point of the potentiometric titration was detected using Gran's plotting method. Precipitation of aluminum hydroxides did not interfere with titrations, because in potentiometric titrations the pH value was over 10 and in complexometric titrations the pH was 4. The results were accurate and determinations were easy to carry out. Sodium was also determined by DCP-AES. 相似文献
7.
Particular attention are recently receiving antimicrobial agents added as preservatives in hygiene and cosmetics commercial products, since some of them are suspected to be harmful to the human health. The preservatives used belong to different classes of chemical species and are generally used in their mixtures. Multi-component methods able to simultaneously determinate species with different chemical structure are therefore highly required in quality control analysis. This paper presents an ion interaction RP-HPLC method for the simultaneous separation of the 20 typical antimicrobial agents most used in cosmetics and hygiene products, that are: benzoic acid, salicylic acid, 4-hydroxybenzoic acid, methyl-, ethyl-, propyl-, butyl-, benzyl-benzoate, methyl-, ethyl-, propyl-, butyl-, benzyl-paraben, o-phenyl-phenol, 4-chloro-m-cresol, triclocarban, dehydroacetic acid, bronopol, sodium pyrithione and chlorhexidine. For the development of the method and the optimization of the chromatographic conditions, an experimental design was planned and models were built by the use of artificial neural network to correlate the retention time of each analyte to the variables and their interactions. The neuronal models developed showed good predictive ability and were used, by a grid search algorithm, to optimize the chromatographic conditions for the separation of the mixture. 相似文献
8.
Marengo E Liparota MC Robotti E Bobba M Gennaro MC 《Analytical and bioanalytical chemistry》2005,381(4):884-895
A new method has been developed for monitoring the degradation of paintings. Two inorganic pigments (ultramarine blue and red ochre) were blended with linseed oil and spread on canvas. Each canvas was subjected to simulated accelerated ageing in the presence of typical degradation agents (UV radiation and acidic solution). Periodically the painted surfaces were analysed by FT-Raman, to investigate the status of the surface. The data obtained were analysed by principal component analysis (PCA). Finally the Shewhart and cumulative sum control charts based on the relevant principal components (PC) and the so called scores monitoring and residuals tracking (SMART) charts were built. The method based on the use of PC to describe the process was found to enable identification of the presence of relevant modification occurring on the surface of the samples studied.Electronic supplementary material Supplementary material is available for this article at 相似文献
9.
Pescitelli G Gabriel S Wang Y Fleischhauer J Woody RW Berova N 《Journal of the American Chemical Society》2003,125(25):7613-7628
Chiral bis-porphyrins are currently the subject of intense interest as chiral receptors and as probes in the determination of structure and stereochemistry. To provide an improved framework for interpreting the circular dichroism (CD) spectra of bis-porphyrins, we have calculated the CD spectra of chiral bis-porphyrins from three classes: I, where porphyrins can adopt a relatively wide range of orientations relative to each other; II, porphyrins have a fixed relative orientation; III, porphyrins undergo pi-stacking. The calculations primarily utilized the classical polarizability theory of DeVoe, but were supplemented by the quantum mechanical matrix method. Class I was represented by three isomers of the diester of 5alpha-cholestane-3,17-diol with 5-(4'-carboxyphenyl)-10,15,20-triphenylporphin (2-alphabeta, 2-betaalpha, 2-betabeta). Careful analysis of the torsional degrees of freedom led to two to four minimum-energy conformers for each isomer, in each of which the phenyl-porphyrin bonds had torsional angles near 90 degrees. Libration about these bonds is relatively unrestricted over a range of +/-45 degrees. CD spectra in the Soret region were calculated as Boltzmann-weighted averages over the low-energy conformers for each isomer. Three models were used: the effective transition moment model, in which only one of the degenerate Soret components is considered, along the 5-15 direction; the circular oscillator model, in which both Soret components are given equal weight; and the hybrid model, in which the 10-20 oscillator is given half the weight of the 5-15 oscillator, to mimic the effect of extensive librational averaging about the 5-15 direction. All three models predict Soret exciton couplets with signs in agreement with experiment. Quantitatively, the best results are given by the hybrid and circular oscillator models. These results validate the widely used effective transition moment model for qualitative assignments of bis-porphyrin chirality and thus permit application of the exciton chirality model. However, for quantitative studies, the circular oscillator or hybrid models should be used. The simplified effective transition moment and hybrid models are justified by the librational averaging in the class I bis-porphyrins and should only be used with such systems. Two class II bis-porphyrins were also studied by DeVoe method calculations in the circular oscillator model, which yielded good agreement with experiment. Class III bis-porphyrins were represented by 2-alphaalpha, for which the calculations gave qualitative agreement. However, limitations in the conformational analysis with the close contacts and dynamic effects in these pi-stacked systems preclude quantitative results. 相似文献
10.
Bruno P Caselli M de Gennaro G De Rienzo M Ielpo P Manigrassi D 《Annali di chimica》2002,92(9):815-824
In this paper an application of new procedures for atmospheric particulate analysis is illustrated. PM10, PAHs (benzo[a]anthracene (BaA), benzo[b]fluoranthene (BbF), benzo[j]fluoranthene (BjF), benzo[k]fluoranthene (BkF), benzo[a]pyrene (BaP), indeno[1, 2, 3-cd]pyrene (Ip), dibenzo[a, h]anthracene (DbA)) and heavy metals (Cu, Ni, Zn, Co, Mn, Cd, Fe and Pb) were investigated. PM10 determination was performed by gravimetric method, PAHs were measured by GC-MS, and heavy metals by HPIC. An air quality monitoring campaign on the territory of Bari municipality has been organised, and its results are shown. 相似文献