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排序方式: 共有486条查询结果,搜索用时 78 毫秒
31.
Marina M. Carrozzo Umberto M. Battisti Giuseppe Cannazza Cinzia Citti Carlo Parenti Luigino Troisi 《Tetrahedron letters》2012,53(24):3023-3026
Chloroacylaminobenzensulfonamides regioselectively thermally cyclize under solvent free conditions to 1,2,4-benzothiadiazines with five- and six-membered rings fused on face b. 相似文献
32.
Jorna Kalim Thibaut Duhail Dr. Ewa Pietrasiak Dr. Elsa Anselmi Dr. Emmanuel Magnier Prof. Dr. Antonio Togni 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(8):2638-2642
The direct trifluoromethylation of a variety of aliphatic alcohols using a hypervalent iodosulfoximine reagent afforded the corresponding ethers in moderate to good yields (14–72 %). Primary, secondary, and even tertiary alcohols, including examples derived from natural products, underwent this transformation in the presence of catalytic amounts of zinc bis(triflimide). Typical reaction conditions involved a neat mixture of 6.0 equivalents of the alcohol with 1.0 equivalent of the reagent, with the majority of reactions complete within 2 h with 2.5 mol % of the Lewis acid catalyst. Furthermore, experimental evidence was provided that the C−O bond-forming process occurred via the coordination of the alcohol to the iodine atom and subsequent reductive elimination. 相似文献
33.
34.
Umberto Raucci Fulvio Perrella Greta Donati Maria Zoppi Alessio Petrone Nadia Rega 《Journal of computational chemistry》2020,41(26):2228-2239
Solute–solvent interactions are proxies for understanding how the electronic density of a chromophore interacts with the environment in a more exhaustive way. The subtle balance between polarization, electrostatic, and non-bonded interactions need to be accurately described to obtain good agreement between simulations and experiments. First principles approaches providing accurate configurational sampling through molecular dynamics may be a suitable choice to describe solvent effects on solute chemical–physical properties and spectroscopic features, such as optical absorption of dyes. In this context, accurate energy potentials, obtained by hybrid implicit/explicit solvation methods along with employing nonperiodic boundary conditions, are required to represent bulk solvent around a large solute–solvent cluster. In this work, a novel strategy to simulate methanol solutions is proposed combining ab initio molecular dynamics, a hybrid implicit/explicit flexible solvent model, nonperiodic boundary conditions, and time dependent density functional theory. As case study, the robustness of the proposed protocol has been gauged by investigating the microsolvation and electronic absorption of the anionic green fluorescent protein chromophore in methanol and aqueous solution. Satisfactory results are obtained, reproducing the microsolvation layout of the chromophore and, as a consequence, the experimental trends shown by the optical absorption in different solvents. 相似文献
35.
This paper reports the preparation and characterization of the homologous series of layered zirconium fluoride n-alkylamino-N,N-bis methylphosphonates, of general formula ZrF(O(3)PCH(2))(2)NHC(n)H(2n+1) (n = 1, 2, 3, 4, 5, 6, 8, 9, 10), in which the two phosphonic groups of each diphosphonate building block participate in the assembly of a single lamella, because they are joined to zirconium atoms belonging to the same layer. The crystal structure of one of the series of these zirconium diphosphonates, ZrF(O(3)PCH(2))(2)NHC(5)H(11), has been solved "ab initio" by X-ray powder diffraction data. The structure is monoclinic, space group P2(1)/c. The zwitterionic character of the diphosphonate moiety is a distinctive feature which acts as a structure-orienting factor, generating a layer framework which is different from the other structures known for zirconium phosphates and phosphonates. This compound undergoes a phase transition at 117 degrees C which involves a rearrangement of the interlayer alkyl chains. The structure of the high-temperature phase has been refined by the Rietveld method. Because only one organic residue is associated with two phosphonate tetrahedra, a poorly hindered interlayer region is formed, and alkyl chains bonded to adjacent layers are interdigitated. Preliminary experiments have shown that these compounds are able to intercalate organic molecules, such as n-alkanols, from very dilute water solutions. 相似文献
36.
Salvatore Pignataro Giovanni Marletta Orazio Puglisi Umberto Costantino Giulio Alberti 《Journal of Electron Spectroscopy and Related Phenomena》1982,25(1):49-57
Mg Kα ESCA spectra of several α-Zr(PO4)2M2 compounds (M = Li+, Na+, K+, Cs+) have been obtained. Satellite structure is observed at ~7–8 eV from the main P 2s peak (corresponding to ~15–16 eV from the main Zr 3d peak). The intensity of the satellite depends on the counter-ion intercalated. For a given counter-ion it is strongly increased by sputtering, the rate of increase being also dependent on the counter-ion. This observation is interpreted mainly in terms of electron-defect formation similar to that involved in the formation of colour centres by radiation damage, and subsequent charge-transfer shake-up of the trapped electrons to the electron-deficient phosphorus or Zr(IV) centres. 相似文献
37.
Umberto Cerruti 《Journal of Mathematical Analysis and Applications》1983,94(2):312-327
It is shown that the category of complete L-similarities on L-sets is a full reflective subcategory of (L) (L-fuzzy graphs); is equivalent to (L)(sheaves on L). Connections with other known “fuzzy” categories are also studied. 相似文献
38.
Summary In this paper we study the Dirichlet problem for the minimal surface equation in a open set Ω without any assumption about
the regularity of ϖΩ. We prove an existence theorem using only the pseudoconvexity of Ω.
Riassunto In questo lavoro studiamo il problema di Dirichlet per l'equazione delle superfici minime in un aperto Ω diR n sulla cui frontiera non si fa nessuna ipotesi di regolarità. Si ottiene un teorema di esistenza usando la sola pseudoconvessità di Ω.相似文献
39.
Canevali C Mari CM Mattoni M Morazzoni F Nodari L Ruffo R Russo U Scotti R 《The journal of physical chemistry. B》2005,109(15):7195-7202
The mechanism of NO interaction with nanosized Ru(Pd,Pt)-doped SnO(2) was studied by electron paramagnetic resonance, M?ssbauer, and electric resistance measurements. Three steps were proposed for the reaction between the semiconductor oxide and the gaseous component: (i) the formation of bielectronic oxygen vacancies (V(o)) in SnO(2); (ii) their single-ionization (V(o)(*)) with injection of electrons into the SnO(2) conduction band; (iii) the subsequent transfer of electrons from V(o)(*) to [Ru(Pd,Pt)](4+). The last process induces the formation of further oxygen vacancies which reduce the transition metal centers to lower oxidation states; the redox processes is enhanced and the electrical resistance in transition metal-doped SnO(2) is stronger modified with respect to the undoped material. 相似文献
40.
Stepwise amination of cyanuric chloride (1) with 5-(4-aminophenyl)-10,15,20-triphenylporphyrin (2) and/or its zinc(II) complex (3) enables the synthesis of porphyrin-porphyrin dyads with predetermined free base-free base forms or free base-zinc and zinc-zinc metalation states. Furthermore, the use of aminopropyl-silanized silica gel as a scavenger for unwanted byproducts allowed the one-pot synthesis of title porphyrin compounds in high yield and purity with minimum use of preparative column chromatography. 相似文献