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41.
Simone Zanella Dr. Michele Mingozzi Alberto Dal Corso Dr. Roberto Fanelli Dr. Daniela Arosio Prof. Dr. Marco Cosentino Dr. Laura Schembri Dr. Franca Marino Dr. Marta De Zotti Prof. Dr. Fernando Formaggio Dr. Luca Pignataro Prof. Dr. Laura Belvisi Prof. Dr. Umberto Piarulli Prof. Dr. Cesare Gennari 《ChemistryOpen》2015,4(5):633-641
A dual-action ligand targeting both integrin αVβ3 and vascular endothelial growth factor receptors (VEGFRs), was synthesized via conjugation of a cyclic peptidomimetic αVβ3 Arg-Gly-Asp (RGD) ligand with a decapentapeptide. The latter was obtained from a known VEGFR antagonist by acetylation at the Lys13 side chain. Functionalization of the precursor ligands was carried out in solution and in the solid phase, affording two fragments: an alkyne VEGFR ligand and the azide integrin αVβ3 ligand, which were conjugated by click chemistry. Circular dichroism studies confirmed that both the RGD and VEGFR ligand portions of the dual-action compound substantially adopt the biologically active conformation. In vitro binding assays on isolated integrin αVβ3 and VEGFR-1 showed that the dual-action conjugate retains a good level of affinity for both its target receptors, although with one order of magnitude (10/20 times) decrease in potency. The dual-action ligand strongly inhibited the VEGF-induced morphogenesis in Human Umbilical Vein Endothelial Cells (HUVECs). Remarkably, its efficiency in preventing the formation of new blood vessels was similar to that of the original individual ligands, despite the worse affinity towards integrin αVβ3 and VEGFR-1. 相似文献
42.
Natashia Boland Santanu S. Dey Thomas Kalinowski Marco Molinaro Fabian Rigterink 《Mathematical Programming》2017,162(1-2):523-535
We investigate how well the graph of a bilinear function \(b{:}\;[0,1]^n\rightarrow \mathbb {R}\) can be approximated by its McCormick relaxation. In particular, we are interested in the smallest number c such that the difference between the concave upper bounding and convex lower bounding functions obtained from the McCormick relaxation approach is at most c times the difference between the concave and convex envelopes. Answering a question of Luedtke, Namazifar and Linderoth, we show that this factor c cannot be bounded by a constant independent of n. More precisely, we show that for a random bilinear function b we have asymptotically almost surely \(c\geqslant \sqrt{n}/4\). On the other hand, we prove that \(c\leqslant 600\sqrt{n}\), which improves the linear upper bound proved by Luedtke, Namazifar and Linderoth. In addition, we present an alternative proof for a result of Misener, Smadbeck and Floudas characterizing functions b for which the McCormick relaxation is equal to the convex hull. 相似文献
43.
At some point, after publication, we realized that Proposition 4.1(2) and Theorem 4.4 in [2] hold under the assumption (not explicitly declared) that B = f(A)+J. Furthermore, we provide here the exact value for the embedding dimension of A?fJ, also when B≠f(A)+J, under the hypothesis that J is finitely generated as an ideal of the ring f(A)+J. 相似文献
44.
Labiadh Lazhar Barbucci Antonio Carpanese Maria Paola Gadri Abdellatif Ammar Salah Panizza Marco 《Journal of Solid State Electrochemistry》2017,21(8):2167-2175
Journal of Solid State Electrochemistry - In this paper, the electrocatalytic properties of PbO2 and TiRuSnO2 anodes for direct and indirect electrochemical oxidation of a synthetic solution... 相似文献
45.
We show that symmetric block designs \({\mathcal {D}}=({\mathcal {P}},{\mathcal {B}})\) can be embedded in a suitable commutative group \({\mathfrak {G}}_{\mathcal {D}}\) in such a way that the sum of the elements in each block is zero, whereas the only Steiner triple systems with this property are the point-line designs of \({\mathrm {PG}}(d,2)\) and \({\mathrm {AG}}(d,3)\). In both cases, the blocks can be characterized as the only k-subsets of \(\mathcal {P}\) whose elements sum to zero. It follows that the group of automorphisms of any such design \(\mathcal {D}\) is the group of automorphisms of \({\mathfrak {G}}_\mathcal {D}\) that leave \(\mathcal {P}\) invariant. In some special cases, the group \({\mathfrak {G}}_\mathcal {D}\) can be determined uniquely by the parameters of \(\mathcal {D}\). For instance, if \(\mathcal {D}\) is a 2-\((v,k,\lambda )\) symmetric design of prime order p not dividing k, then \({\mathfrak {G}}_\mathcal {D}\) is (essentially) isomorphic to \(({\mathbb {Z}}/p{\mathbb {Z}})^{\frac{v-1}{2}}\), and the embedding of the design in the group can be described explicitly. Moreover, in this case, the blocks of \(\mathcal {B}\) can be characterized also as the v intersections of \(\mathcal {P}\) with v suitable hyperplanes of \(({\mathbb {Z}}/p{\mathbb {Z}})^{\frac{v-1}{2}}\). 相似文献
46.
Marco Bee Giuseppe Espa Diego Giuliani Flavio Santi 《Journal of computational and graphical statistics》2017,26(3):695-708
In this article, we use the cross-entropy method for noisy optimization for fitting generalized linear multilevel models through maximum likelihood. We propose specifications of the instrumental distributions for positive and bounded parameters that improve the computational performance. We also introduce a new stopping criterion, which has the advantage of being problem-independent. In a second step we find, by means of extensive Monte Carlo experiments, the most suitable values of the input parameters of the algorithm. Finally, we compare the method to the benchmark estimation technique based on numerical integration. The cross-entropy approach turns out to be preferable from both the statistical and the computational point of view. In the last part of the article, the method is used to model the probability of firm exits in the healthcare industry in Italy. Supplemental materials are available online. 相似文献
47.
Ky Ho Kanishka Perera Inbo Sim Marco Squassina 《Journal of Fixed Point Theory and Applications》2017,19(1):157-173
We study a class of fractional p-Laplacian problems with weights which are possibly singular on the boundary of the domain. We provide existence and multiplicity results as well as characterizations of critical groups and related applications. 相似文献
48.
Dr. Michela Parafioriti Dr. Minghong Ni Maurice Petitou Dr. Courtney J. Mycroft-West Dr. Timothy R. Rudd Dr. Neha S. Gandhi Prof. Vito Ferro Prof. Jeremy E. Turnbull Dr. Marcelo A. Lima Dr. Mark A. Skidmore Prof. David G. Fernig Dr. Edwin A. Yates Dr. Antonella Bisio Dr. Marco Guerrini Dr. Stefano Elli 《Chemistry (Weinheim an der Bergstrasse, Germany)》2023,29(1):e202202599
Infection of host cells by SARS-CoV-2 begins with recognition by the virus S (spike) protein of cell surface heparan sulfate (HS), tethering the virus to the extracellular matrix environment, and causing the subunit S1-RBD to undergo a conformational change into the ‘open’ conformation. These two events promote the binding of S1-RBD to the angiotensin converting enzyme 2 (ACE2) receptor, a preliminary step toward viral-cell membrane fusion. Combining ligand-based NMR spectroscopy with molecular dynamics, oligosaccharide analogues were used to explore the interactions between S1-RBD of SARS CoV-2 and HS, revealing several low-specificity binding modes and previously unidentified potential sites for the binding of extended HS polysaccharide chains. The evidence for multiple binding modes also suggest that highly specific inhibitors will not be optimal against protein S but, rather, diverse HS-based structures, characterized by high affinity and including multi-valent compounds, may be required. 相似文献
49.
Antônio Gomes dos Santos Neto Franciele de Matos Morawski Ana Caroline Ferreira Santos Cláudia Quintino da Rocha Roberto Batista de Lima Marília Oliveira Fonseca Goulart Clenilton Costa dos Santos Flávio Colmati Antônio Euzébio Goulart Santana Marco Aurélio Suller Garcia Auro Atsushi Tanaka 《Electroanalysis》2023,35(5):e202200390
Here, we report multiwalled carbon nanotubes (MWCNTs) functionalized with γ-cyclodextrins (γCD) as a novel electrochemical strategy for Rutin determination, showing superior performance than β-cyclodextrins (βCD) modified MWCNTs, suggesting an adequate environment for host-guest interactions. Under optimized conditions, the sensor showed a linear range of 39–975 nmol L−1 and a limit of detection of 7 nmol L−1. When tested with quercetin, catechin, and caffeine, the platform presented high selectivity with an interference response <10 %. The method was employed to quantify Rutin in spiked pharmaceutical and herbal extracts, providing recovery of 93–98.4 %. Also, HPLC-PDA confirmed the method‘s accuracy. 相似文献
50.
Dr. Juan P. Mora-Fuentes Marcos D. Codesal Marco Reale Dr. Carlos M. Cruz Dr. Vicente G. Jiménez Dr. Alice Sciortino Prof. Marco Cannas Prof. Fabrizio Messina Dr. Victor Blanco Dr. Araceli G. Campaña 《Angewandte Chemie (International ed. in English)》2023,62(21):e202301356
We report the synthesis and characterization of a novel type of nanohoop, consisting of a cycloparaphenylene derivative incorporating a curved heptagon-containing π-extended polycyclic aromatic hydrocarbon (PAH) unit. We demonstrate that this new macrocycle behaves as a supramolecular receptor of curved π-systems such as fullerenes C60 and C70, with remarkably large binding constants (ca. 107 M−1), as estimated by fluorescence measurements. Nanosecond and femtosecond spectroscopic analysis show that these host-guest complexes are capable of quasi-instantaneous charge separation upon photoexcitation, due to the ultrafast charge transfer from the macrocycle to the complexed fullerene. These results demonstrate saddle-shaped PAHs with dibenzocycloheptatrienone motifs as structural components for new macrocycles displaying molecular receptor abilities and versatile photochemical responses with promising electron-donor properties in host-guest complexes. 相似文献