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41.
Dawei Jiang Simone Budow Virginie Glaon Henning Eickmeier Hans Reuter Yang He Frank Seela 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(4):o194-o197
The title compound, C10H12FN5O4·H2O, shows an anti glycosyl orientation [χ = −123.1 (2)°]. The 2‐deoxy‐2‐fluoroarabinofuranosyl moiety exhibits a major C2′‐endo sugar puckering (S‐type, C2′‐endo–C1′‐exo, 2T1), with P = 156.9 (2)° and τm = 36.8 (1)°, while in solution a predominantly N conformation of the sugar moiety is observed. The conformation around the exocyclic C4′—C5′ bond is −sc (trans, gauche), with γ = −78.3 (2)°. Both nucleoside and solvent molecules participate in the formation of a three‐dimensional hydrogen‐bonding pattern via intermolecular N—H...O and O—H...O hydrogen bonds; the N atoms of the heterocyclic moiety and the F substituent do not take part in hydrogen bonding. 相似文献
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Motivated by the superconductivity, we are interested in the fundamental state of the Schorödinger operator with magnetic field. In this paper, we propose a numerical approach based on the finite elements method to determine the bottom of the spectrum of this operator in general domains. We improve the numerical results by using mesh-refinement techniques based on a posteriori error estimators developed elsewhere. We also look at the monotonicity of the bottom of the spectrum in an angular sector according to the angle to complement the theorical study of Bonnaillie (C. R. Acad. Sci. Paris, Ser. I 336 (2) (2003) 135–140). To cite this article: F. Alouges, V. Bonnaillie, C. R. Acad. Sci. Paris, Ser. I 337 (2003). 相似文献
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Paula Miro Virginie Lhiaubet‐Vallet M. Luisa Marin Miguel A. Miranda 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(47):17051-17056
A new mechanism of photosensitized formation of thymine (Thy) dimers is proposed, which involves generation of a delocalized triplet excited state as the key step. This is supported by chemical evidence obtained by combining one benzophenone and two Thy units with different degrees of freedom, whereby the photoreactivity is switched from a clean Paternò–Büchi reaction to a fully chemo‐, regio‐, and stereoselective [2+2] cycloaddition. 相似文献
46.
Ravi Madhukar Mawale Mayuri Vilas Ausekar Lubomír Prokeš Virginie Nazabal Emeline Baudet Tomáš Halenkovič Marek Bouška Milan Alberti Petr Němec Josef Havel 《Journal of the American Society for Mass Spectrometry》2017,28(12):2569-2579
Laser desorption ionization using time-of-flight mass spectrometer afforded with quadrupole ion trap was used to study As2Ch3 (Ch = S, Se, and Te) bulk chalcogenide materials. The main goal of the study is the identification of species present in the plasma originating from the interaction of laser pulses with solid state material. The generated clusters in both positive and negative ion mode are identified as 10 unary (S p +/– and As m +/– ) and 34 binary (As m S p +/– ) species for As2S3 glass, 2 unary (Se q +/– ) and 26 binary (As m Se q +/– ) species for As2Se3 glass, 7 unary (Te r +/– ) and 23 binary (As m Te r +/– ) species for As2Te3 material. The fragmentation of chalcogenide materials was diminished using some polymers and in this way 45 new, higher mass clusters have been detected. This novel approach opens a new possibility for laser desorption ionization mass spectrometry analysis of chalcogenides as well as other materials. 相似文献
47.
Maxit B Giermanska J Ly I Bendejacq D Mondain-Monval O Ponsinet V 《Langmuir : the ACS journal of surfaces and colloids》2011,27(5):1990-1995
We report on the structures exhibited by two different diblock poly(styrene)-b-poly(acrylic acid) (PS-b-PAA) copolymers in water, a selective solvent. Using a combination of X-ray scattering and freeze fracture-transmission electron microscopy (FF-TEM), we show that these structures can be widely swollen while retaining their initial morphology and a high degree of long-range order. The analysis of the FF-TEM pictures also evidences the presence of water crystallites of regular size and shape within the confined water domains. We relate the growth of these crystallites to the high local ionic strength of the water swelling the PAA brushes. Moreover, the confinement of the crystallites growth shows that the swollen phases have a very robust structure, potentially useful for confining colloidal particles. 相似文献
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49.
Mehdi Ez-Zoubir Virginie Ratovelomanana-Vidal Véronique Michelet 《Journal of organometallic chemistry》2011,696(1):433-4841
The efficiency of an Ir(I)/HI system has been studied. The association of hydroiodic acid with iridium has been tested in the catalytic hydroiodination of alkynes. The use of [Ir(cod)Cl]2 dimer led to clean hydroiodination reactions and afforded the corresponding vinyliodides as a mixture of derivatives, where the Markovnikov type adduct was found to be the major product (80/20 to 93/7 ratio), in good yields. The mechanism was investigated and two main pathways seemed to be involved, one based on an initial oxidative addition of HI to the Ir(I) complex and the other one based on a π-activation of the alkyne moiety. The corresponding vinyliodides were engaged in Pd-catalyzed cross-coupling (Sonogashira and Suzuki-Miyaura) reactions under organoaqueuous conditions. 相似文献
50.
The aim of this article is to propose a mathematical model describing the electronic structure of crystals with local defects in the framework of the Thomas–Fermi–von Weizsäcker (TFW) theory. The approach follows the same lines as that used in Cancès et al. (Commun Math Phys 281:129–177, 2008) for the reduced Hartree–Fock model, and is based on thermodynamic limit arguments. We prove, in particular, that it is not possible to model charged defects within the TFW theory of crystals. 相似文献