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71.
Giovanni Meazza Giampaolo Zanardi Paolo Piccardi 《Journal of heterocyclic chemistry》1993,30(2):365-371
Trifluoromethyl-substituted pyrazoles were synthesized via 1,3-dipolar cycloaddition from sydnones 2a-j and 1-aryl-3,3,3-trifluoro-propynes 5a-f. The regioselectivity of the reaction and the spectroscopic characteristics of the products are discussed. 相似文献
72.
Barone G Duca D Silvestri A Gomez-Paloma L Riccio R Bifulco G 《Chemistry (Weinheim an der Bergstrasse, Germany)》2002,8(14):3240-3245
Ab initio calculations at the Hartree-Fock level with full-geometry optimization using the 6-31G(d) basis set, and GIAO (gauge including atomic orbitals) (13)C NMR chemical shifts, are presented here as a support in the study of the stereochemistry of low-polar organic compounds having an open-chain structure. Four linear stereoisomers, fragments of a natural product previously characterized by experimental (13)C NMR spectra, which possesses three stereogenic centers, 11 carbon atoms, and 38 atoms in total, were considered. Conformational searches, by empirical force-field molecular dynamics, pointed out the existence of 8-13 relevant conformers per stereoisomer. Thermochemical calculations at the ab initio level in the harmonic approximation of the vibrational modes, allowed the evaluation, at 298.15 K, of the standard Gibbs free energy of the conformers. The (13)C NMR chemical shift of a given carbon atom in each stereoisomer was considered as the average chemical shift value of the same atom in the different conformers. The averages were obtained by the Boltzmann distribution, using the relative standard free energies as weighting factors. Computed parameters related to linear correlation plots of experimental (13)C chemical shifts versus the corresponding computed average data allowed us to distinguish among the four stereoisomers. 相似文献
73.
Pier Luigi Ferrarini Giuliana Biagi Oreste Livi Giampaolo Primofiore Marino Carpen 《Journal of heterocyclic chemistry》1981,18(5):1007-1010
Some 3-substituted-5,6-dihydro[1,8]naphthyrido[3,2-c][1,8]naphthyridines (V) were obtained by the condensation of 7-substituted-2,3-dihydro-1,8-naphthyridin-4-(1H)ones (IV) with 2-aminonicotinaldehyde. All of the 5,6-dihydro derivatives V were transformed into the fully aromatic compounds VI by refluxing with nitrobenzene. 相似文献
74.
Antonio Da Settimo Anna Maria Marini Giampaolo Primofiore Federico Da Settimo Daniele Bertini 《Journal of heterocyclic chemistry》1998,35(1):57-60
The synthesis of derivatives of two new heterocyclic systems, purino[8,7-b][1,3]benzothiazine and pyrido[3′,2′:5,6][1,3]thiazino[3,2-f]purine, was effected by the Ullmann reaction between 8-mercaptotheophylline or 8-bromotheophylline with the appriopriately substituted benzoic or nicotinic acid, respectively. The 8,8′-dithiobistheophylline is also reported. 相似文献
75.
Paola Caroti Carlo Ceccotti Antonio Da Settimo Fabio Palla Giampaolo Primofiore 《Journal of heterocyclic chemistry》1986,23(6):1833-1836
Reaction between 2-chloropyridine-3-carbonyl chloride and 1-alkyl-2-aminobenzimidazoles afforded the N-(1-alkylbenzimidazole-2-yl)-2-chloropyridine-3-carboxamides, which were cyclized to 5,7-dihydro-5-oxopyrido[3′,2′:5,6]pyrimido[1,2-a]benzimidazoles. The assigned structures of these hitherto unknown heterocyclic compounds were confirmed by their ir and 1H nmr spectra and chemical evidence. 相似文献
76.
Ab initio calculations were performed on the tautomers and conformers of N-hydroxyurea using a 6-31G ** basis set. The minimum-energy structures have been found and the importance of the intramolecular hydrogen bond as the stabilizing factor was pointed out. © 1996 John Wiley & Sons, Inc. 相似文献
77.
Mariagrazia Napoli Rosa Ricciardi Antonia Memoli Pasquale Longo 《Journal of polymer science. Part A, Polymer chemistry》2008,46(4):1476-1487
C2‐symmetric group 4 metallocenes based catalysts (rac‐[CH2(3‐tert‐butyl‐1‐indenyl)2]ZrCl2 (1) , rac‐[CH2(1‐indenyl)2]ZrCl2 (2) and rac‐[CH2(3‐tert‐butyl‐1‐indenyl)2]TiCl2 (3) ) are able to copolymerize styrene and 1,3‐butadiene, to give products with high molecular weight. In agreement with symmetry properties of metallocene precatalysts, styrene homosequences are in isotactic arrangements. Full determination of microstructure of copolymers was obtained by 13C NMR and FTIR analysis and it reveals that insertion of butadiene on styrene chain‐end happens prevailingly with 1,4‐trans configuration. In the butadiene homosequences, using zirconocene‐based catalysts, the 1,4‐trans arrangement is favored over 1,4‐cis, but the latter is prevailing in the presence of titanocene (3) . Diad composition analysis of the copolymers makes possible to estimate the reactivity ratios of copolymerization: zirconocenes (1) and (2) produced copolymers having r1 × r2 = 0.5 and 3.0, respectively (where 1 refers to styrene and 2 to butadiene); while titanocene (3) gave tendencially blocky styrene–butadiene copolymers (r1 × r2 = 8.5). The copolymers do not exhibit crystallinity, even when they contain a high molar fraction of styrene. Probably, comonomer homosequences are too short to crystallize (ns = 16, in the copolymer at highest styrene molar fraction). © 2008 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 46: 1476–1487, 2008 相似文献
78.
We describe modeling the solid-state dye laser with the microcavity size comparable to light wavelength.Certain symmetry in the allocation of gain material leads to depletion of odd longitudinal modes that,in turn, increases the tunability range of the microlaser. We provide simple physical explanation for the modeling results. 相似文献
79.
P. Napolitani K. -H. Schmidt P. Armbruster A. S. Botvina M. V. Ricciardi L. Tassan-Got F. Rejmund T. Enqvist 《Physics of Atomic Nuclei》2003,66(8):1471-1477
The high-resolution spectrometer FRS at GSI, Darmstadt, provides the full isotopic and kinematical identification of fragmentation residues in relativistic heavy-ion collisions. Recent measurements of the isotopic distribution of heavy projectile fragments led to a very surprising new physical finding: the residue production does not lose memory of the N/Z of the projectile ending up in a universal deexcitation corridor; an ordering of the residues in relation to the neutron excess of the projectile has been observed. These unexpected features can be interpreted as a new manifestation of multifragmentation. We have found that, at the last stage of the reaction, the temperature of the big clusters subjected to evaporation is limited to a universal value. The thermometer to measure this limiting temperature is the neutron excess of the residues. 相似文献
80.
We here report that the formation and breakdown of an intramolecular cytosine-thymine (CT) motif DNA triple-helix can be performed repeatedly, quickly and independently of its local concentration without performance reduction over successive cycles; as a consequence, we propose that this set of characteristics makes the DNA duplex-triplex transition an ideal candidate to power simple nanometer-scale devices capable of maintaining effective performance regardless of their local concentration. 相似文献