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31.
M. Fischer F. Stefani G. Gerbeth 《The European Physical Journal B - Condensed Matter and Complex Systems》2008,65(4):547-554
Using a spherically symmetric mean-field α2-dynamomodel for Earth’s magnetic field reversals, we show thecoexistence of the noise-induced phenomena coherence resonance
and stochastic resonance. Stochastic resonance was recentlyinvoked to explain the 100 kyr periodicity in the distribution
ofresidence times between reversals.The comparison of the resulting residence time distribution withthe paleomagnetic one
allows for some estimate ofthe effective diffusion time of the Earth’s core which may be100 kyr or slightly below rather than200 kyr
as it would result from the molecular resistivity. 相似文献
32.
Dolastatin units were synthesized from the 1,2-addition reactions of potassium allyl or crotyltrifluoroborate salts to aldehyde derivatives from natural amino acids. The reactions were carried out in presence of a phase-transfer catalyst in a biphasic medium at room temperature and excellent yields (>89-93%) and stereoselective (>90:10 to 98:2) were obtained. The dolastatin units 8 and 14a-b were obtained after three steps in good overall yields (50-62%). 相似文献
33.
Evangelista F Carravetta V Stefani G Jansik B Alagia M Stranges S Ruocco A 《The Journal of chemical physics》2007,126(12):124709
An experimental and theoretical study of the electronic structure of copper phthalocyanine (CuPc) molecule is presented. We performed x-ray photoemission spectroscopy (XPS) and photoabsorption [x-ray absorption near-edge structure (XANES)] gas phase experiments and we compared the results with self-consistent field, density functional theory (DFT), and static-exchange theoretical calculations. In addition, ultraviolet photoelectron spectra (UPS) allowed disentangling several outer molecular orbitals. A detailed study of the two highest occupied orbitals (having a(1u) and b(1g) symmetries) is presented: the high energy resolution available for UPS measurements allowed resolving an extra feature assigned to vibrational stretching in the pyrrole rings. This observation, together with the computed DFT electron density distributions of the outer valence orbitals, suggests that the a(1u) orbital (the highest occupied molecular orbital) is mainly localized on the carbon atoms of pyrrole rings and it is doubly occupied, while the b(1g) orbital, singly occupied, is mainly localized on the Cu atom. Ab initio calculations of XPS and XANES spectra at carbon K edge of CuPc are also presented. The comparison between experiment and theory revealed that, in spite of being formally not equivalent, carbon atoms of the benzene rings experience a similar electronic environment. Carbon K-edge absorption spectra were interpreted in terms of different contributions coming from chemically shifted C 1s orbitals of the nonequivalent carbon atoms on the inner ring of the molecule formed by the sequence of CN bonds and on the benzene rings, respectively, and also in terms of different electronic distributions of the excited lowest unoccupied molecular orbital (LUMO) and LUMO+1. In particular, the degenerate LUMO appears to be mostly localized on the inner pyrrole ring. 相似文献
34.
Evangelia Dimitrokalli Stefani Fertaki Michail Lykouras Petros Kokkinos Malvina Orkoula Christos Kontoyannis 《Molecules (Basel, Switzerland)》2021,26(21)
Warfarin sodium is a low-dose pharmaceutical blood thinner that exists in two forms: the clathrate form and the amorphous form. In commercially available warfarin sodium oral suspension, the active pharmaceutical ingredient (API) is added in the amorphous state. This study investigates the apparent instability of the commercially available warfarin liquid oral formulation using Raman and IR spectroscopy, X-ray diffraction, differential scanning calorimetry, UV spectroscopy, and optical microscopy. Warfarin, not its sodium salt, was identified as the undissolved solid existing in the suspension. This was found to be due to the dissociation of sodium salt and the protonation of the warfarin ion in the liquid phase, which triggered the crystallization of the sparingly soluble unsalted form. The coexistence of protonated and unprotonated warfarin ions in the supernatant, as detected by Raman and UV spectroscopy, confirmed this assumption. Study of the dissolution of warfarin sodium amorphous salt and crystalline sodium clathrate in the placebo and pure water verified the results. The effect of pH and temperature on warfarin precipitation was also explored. 相似文献
35.
36.
An ultrasound-assisted synthesis of symmetrical 1,3-diyne compounds with electron-withdrawing or -donating substituents is described and illustrated by the palladium-catalyzed homocoupling reaction of n-butyl alkynyltellurides. This procedure offers easy access to 1,3-diynes in very short reaction times, and the products are achieved in good to excellent yields. 相似文献
37.
Emerenciano VP Alvarenga SA Scotti MT Ferreira MJ Stefani R Nuzillard JM 《Analytica chimica acta》2006,579(2):217-226
Feed-forward neural networks (FFNNs) were used to predict the skeletal type of molecules belonging to six classes of terpenoids. A database that contains the 13C NMR spectra of about 5000 compounds was used to train the FFNNs. An efficient representation of the spectra was designed and the constitution of the best FFNN input vector format resorted from an heuristic approach. The latter was derived from general considerations on terpenoid structures. 相似文献
38.
This work reports the preparation of system containing RE2+ ions (RE=Sm and Eu)-doped in SrB4O7 matrix by ceramic, Pechini and combustion methods. These compounds were prepared by reduction of RE3+ to RE2+ in air, which exhibit some different features according to the preparation method. Photoluminescent properties of these systems were investigated based on the emission and excitation spectral data. The emission spectra of SrB4O7:Eu2+ system prepared by combustion and Pechini methods are characterized by a broad band assigned to interconfigurational 4f65d→4f7 transition, while SrB4O7:Sm2+ compound exhibit narrow emission bands arising from intraconfigurational-4f6 also shows 4G5/2→6HJ′ transitions ( and ) arising from Sm3+ ion, transitions. SrB4O7:RE system prepared by combustion method presents emission bands from RE3+ ions as intense as that arising from RE2+, suggesting that the preparation route is not efficient for the reduction RE3+→RE2+ process. Emission quantum efficiency and radiative emission rates of Sm2+ ion are determined and discussed. 相似文献
39.
Cella R Cunha RL Reis AE Pimenta DC Klitzke CF Stefani HA 《The Journal of organic chemistry》2006,71(1):244-250
[reaction: see text] Palladium(0)-catalyzed cross-coupling between potassium aryltrifluoroborate salts and aryl tellurides proceeds readily to afford the desired biaryls in good to excellent yield. The reaction seems to be unaffected by the presence of electron-withdrawing or electron-donating substituents in both the potassium aryltrifluoroborate salts and aryl tellurides partners. Biaryls containing a variety of functional groups can be prepared. A chemoselectivity study was also carried out using aryl tellurides bearing halogen atoms in the same compound. In addition, this new version of the Suzuki-Miyaura cross-coupling reaction was monitored by electrospray ionization mass spectrometry where some reaction intermediates were detected and analyzed. 相似文献
40.
Hélio A. Stefani Nathália C.S. Silva Flávia Manarin Diogo S. Lüdtke Julio Zukerman-Schpector Lucas Sousa Madureira Edward R.T. Tiekink 《Tetrahedron letters》2012,53(14):1742-1747
We have developed an efficient method for the synthesis of functionalized C-glycosyl 1,2,3-triazoles through a Cu(I)-promoted azide–alkyne 1,3-dipolar cycloaddition between a TMS-protected C-alkynyl-glycoside and organic azides. The reaction was accelerated by ultrasound irradiation and the addition of a base was not necessary to obtain the 1,2,3-triazole product. Moreover, further manipulation of the products led to chiral molecules with a C-glycoside linkage. 相似文献