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61.
Mary‐Ann J. Siegert Caroline H. Knittel Roderich D. Süssmuth 《Angewandte Chemie (International ed. in English)》2020,59(14):5500-5504
The toxic bicyclic octapeptide α‐amanitin is mostly found in different species of the mushroom genus Amanita, with the death cap (Amanita phalloides) as one of the most prominent members. Due to its high selective inhibition of RNA polymerase II, which is directly linked to its high toxicity, particularly to hepatocytes, α‐amanitin received an increased attention as a toxin‐component of antibody‐drug conjugates (ADC) in cancer research. Furthermore, the isolation of α‐amanitin from mushrooms as the sole source severely restricts compound supply as well as further investigations, as structure–activity relationship (SAR) studies. Based on a straightforward access to the non‐proteinogenic amino acid dihydroxyisoleucine, we herein present a robust total synthesis of α‐amanitin providing options for production at larger scale as well as future structural diversifications. 相似文献
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Simon M. Vornholt Caroline G. Elliott Cameron M. Rice Dr. Samantha E. Russell Peter J. Kerr Daniel N. Rainer Michal Mazur Dr. Mark R. Warren Dr. Paul S. Wheatley Prof. Russell E. Morris 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(33):8537-8546
The size of single crystals of the metal-organic framework CPO-27-Ni was incrementally increased through a series of modulated syntheses. A novel linker modulated synthesis using 2,5-dihydroxyterephthalic acid and the isomeric ligand 4,6-dihydroxyisophthalic acid yielded large single crystals of CPO-27-Ni (∼70 μm). All materials were shown to have high crystallinity and phase purity through powder X-ray diffraction, electron microscopy methods, thermogravimetry, and compositional analysis. For the first time single-crystal structure analyses were carried out on CPO-27-Ni. High BET surface areas and nitric oxide (NO) release efficiencies were recorded for all materials. Large single crystals of CPO-27-Ni showed a prolonged NO release and proved suitable for in situ single-crystal diffraction experiments to follow the NO adsorption. An efficient activation protocol was developed, leading to a dehydrated structure after just 4 h, which subsequently was NO-loaded, leading to a first NO loaded single-crystal structural model of CPO-27-Ni. 相似文献
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The unilateral contact between a structure and a fluid is difficult to modelize for several reasons: first of all the wet surface of the structure is an unknown; secondly the coupling with the movements of the structure can be very complex and finally the interaction with the waves (even if the eigenfrequencies of the structure and the one of the fluids are very different) can be at the origin of very stiff solutions. This notes aims at giving a simple mathematical model based on two penalty-integration methods which enables one to reproduce the extreme cases where the energy release rate is 0 or 1. It is proved that this model is well posed and an asymptotic analysis versus the penalty parameter is carried out. 相似文献
66.
Mellot-Draznieks C Girard S Férey G 《Journal of the American Chemical Society》2002,124(51):15326-15335
The design of new and interesting inorganic frameworks is an ongoing challenge in materials sciences. New structures containing double-four-ring (D4R) units have recently received particular attention. The present work focuses on the computational design of new three-dimensional frameworks made of D4R units exclusively. In a first step, our simulations explore the possible ways to assemble predefined D4R units in 3D space using a sophisticated cascade of simulated annealing/minimizations steps (autoassembly of secondary building units method). While the existing zeotype topologies were successfully generated, new topologies were predicted including very open frameworks containing new types of cages. In a second step, lattice energy minimizations were performed to estimate the viability of these hypothetical frameworks as silicate, aluminophosphaste, and gallophosphate candidates. When comparing the hypothetical structures to existing compounds, our results raise the challenging question of the appropriate chemical composition that should be aimed at for a given framework topology of interest. 相似文献
67.
Krief A Destree A Durisotti V Moreau N Smal C Colaux-Castillo C 《Chemical communications (Cambridge, England)》2002,(6):558-559
Driving the equilibrium between selenides and osmium(VIII) reagents with selenoxides and osmium(VI) by a subsequent reaction (rearrangement of allyl selenoxides to allyl alcohols or addition of osmium(VIII) species on C=C double bonds) to one side, allows the transformation of methyl geranyl selenides to linalool and of methyl citronellyl selenoxide to 6,7-dihydroxy citronellyl selenide. 相似文献
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Craig F Ferris Tara Stolberg Praveen Kulkarni Murali Murugavel Robert Blanchard D Caroline Blanchard Marcelo Febo Mathew Brevard Neal G Simon 《BMC neuroscience》2008,9(1):111
Background
With the advent of functional magnetic resonance imaging (fMRI) in awake animals it is possible to resolve patterns of neuronal activity across the entire brain with high spatial and temporal resolution. Synchronized changes in neuronal activity across multiple brain areas can be viewed as functional neuroanatomical circuits coordinating the thoughts, memories and emotions for particular behaviors. To this end, fMRI in conscious rats combined with 3D computational analysis was used to identifying the putative distributed neural circuit involved in aggressive motivation and how this circuit is affected by drugs that block aggressive behavior. 相似文献70.