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91.
E Mattia A Porta V Merlini G Zanoni G Vidari 《Chemistry (Weinheim an der Bergstrasse, Germany)》2012,18(38):11894-11898
Re catalysis in one-pot reactions: An atom-economical, one-pot strategy that involves alkyne deprotonation and a subsequent rhenium(V)-catalysed Meyer-Schuster rearrangement of the alkynol to provide α,?-unsaturated enones in high yield has been developed. Subsequent in situ hydride reduction or Diels-Alder reaction of the enones provided products in good-to-high overall yields. 相似文献
92.
Raffaella Puliti Carlo Andrea Mattia 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):496-499
Ammonium N‐acetyl‐l ‐threoninate, NH4+·C6H10NO4?, and methylammonium N‐acetyl‐l ‐threoninate, CH6N+·C6H10NO4?, crystallize in the orthorhombic P212121 and monoclinic P21 space groups, respectively. The two crystals present the same packing features consisting of infinite ribbons of screw‐related N‐acetyl‐l ‐threoninate anions linked together through pairs of hydrogen bonds. The cations interconnect neighbouring ribbons of anions involving all the nitrogen‐H atoms in three‐dimensional networks of hydrogen bonds. The hydrogen‐bond patterns include asymmetric `three‐centred' systems. In both structures, the Thr side chain is in the favoured (g?g+) conformation. 相似文献
93.
Mattia Silvi Polyssena Renzi Deborah Rosato Cristiana Margarita Alessio Vecchioni Ivan Bordacchini Diego Morra Alessandro Nicolosi Riccardo Cari Dr. Fabio Sciubba Dr. Daniele M. Scarpino Schietroma Dr. Marco Bella 《Chemistry (Weinheim an der Bergstrasse, Germany)》2013,19(30):9973-9978
A challenging asymmetric reaction (aza‐Michael addition of imides to enones) has been optimized through an integrated approach involving the synthesis of a family of organocatalysts, multiple catalysis (usage of additives), and finally with rational exploration of the chemical space by the application of the experiment design. 相似文献
94.
Dr. Sonia La Cognata Dr. Riccardo Mobili Prof. Chiara Milanese Dr. Massimo Boiocchi Dr. Mattia Gaboardi Prof. Donatella Armentano Dr. Johannes C. Jansen Dr. Marcello Monteleone Dr. Ariana R. Antonangelo Dr. Mariolino Carta Prof. Valeria Amendola 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(49):e202201631
Two novel imide/imine-based organic cages have been prepared and studied as materials for the selective separation of CO2 from N2 and CH4 under vacuum swing adsorption conditions. Gas adsorption on the new compounds showed selectivity for CO2 over N2 and CH4. The cages were also tested as fillers in mixed-matrix membranes for gas separation. Dense and robust membranes were obtained by loading the cages in either Matrimid® or PEEK-WC polymers. Improved gas-transport properties and selectivity for CO2 were achieved compared to the neat polymer membranes. 相似文献
95.
ABSTRACTWe have studied the alignment and molecular organisation within a thin film of the popular nematic 5CB sandwiched between two flat polymer slabs, examining the effect of polymer chemical nature and morphology with atomistic molecular dynamics simulations. We have chosen two common polymers: polystyrene (PS) and polymethylmethacrylate (PMMA), either with their chains in random coil conformation (disordered) or with chains unidirectionally stretched (ordered). We found that, independently on the arrangement of the chains, both surfaces align planarly the liquid crystal, in accord with experimental observation. Moreover, while 5CB molecules align along the chains stretching direction of the PMMA ordered surface, on the combed PS surface they arrange on average perpendicularly to the stretching direction. This behaviour is attributed to the chemically specific interactions between the respective aromatic moieties of PS and 5CB. 相似文献
96.
Synchronization of moving chaotic agents 总被引:1,自引:0,他引:1
We consider a set of mobile agents in a two dimensional space, each one of them carrying a chaotic oscillator, and discuss the related synchronization issues under the framework of time-variant networks. In particular, we show that, as far as the time scale for the motion of the agents is much shorter than that of the associated dynamical systems, the global behavior can be characterized by a scaled all-to-all Laplacian matrix, and the synchronization conditions depend on the agent density on the plane. 相似文献
97.
We present ToloMEo (TOpoLogical netwOrk Maximum Entropy Optimization), a program implemented in C and Python that exploits a maximum entropy algorithm to evaluate network topological information. ToloMEo can study any system defined on a connected network where nodes can assume N discrete values by approximating the system probability distribution with a Pottz Hamiltonian on a graph. The software computes entropy through a thermodynamic integration from the mean-field solution to the final distribution. The nature of the algorithm guarantees that the evaluated entropy is variational (i.e., it always provides an upper bound to the exact entropy). The program also performs machine learning, inferring the system’s behavior providing the probability of unknown states of the network. These features make our method very general and applicable to a broad class of problems. Here, we focus on three different cases of study: (i) an agent-based model of a minimal ecosystem defined on a square lattice, where we show how topological entropy captures a crossover between hunting behaviors; (ii) an example of image processing, where starting from discretized pictures of cell populations we extract information about the ordering and interactions between cell types and reconstruct the most likely positions of cells when data are missing; and (iii) an application to recurrent neural networks, in which we measure the information stored in different realizations of the Hopfield model, extending our method to describe dynamical out-of-equilibrium processes. 相似文献
98.
Benedetta Morini Valeria Simoncini Mattia Tani 《Computational Optimization and Applications》2017,66(1):1-37
This paper addresses the solution of a cardinality Boolean quadratic programming problem using three different approaches. The first transforms the original problem into six mixed-integer linear programming (MILP) formulations. The second approach takes one of the MILP formulations and relies on the specific features of an MILP solver, namely using starting incumbents, polishing, and callbacks. The last involves the direct solution of the original problem by solvers that can accomodate the nonlinear combinatorial problem. Particular emphasis is placed on the definition of the MILP reformulations and their comparison with the other approaches. The results indicate that the data of the problem has a strong influence on the performance of the different approaches, and that there are clear-cut approaches that are better for some instances of the data. A detailed analysis of the results is made to identify the most effective approaches for specific instances of the data. 相似文献
99.
100.
Raffaella Puliti Carlo Andrea Mattia Lelio Mazzarella 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(9):o582-o584
In the title compound, C27H39IN3+·I?, the acridinium system shows the usual approximate mirror symmetry about the central C?N line, and the corresponding bond lengths and angles in the two halves agree within experimental error. The alkyl chain at the ring N atom is initially perpendicular to the ring plane and then bends sharply at the fourth C atom. Pairs of centrosymmetrically related cations overlap two of their rings and the dimethylamino groups are also partly involved in the overlap. Each I? ion is involved in short‐range interactions with two cations. These interactions give rise to a 14‐membered cyclic structure, which involves pairs of cations and anions across an inversion centre. 相似文献