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排序方式: 共有153条查询结果,搜索用时 15 毫秒
1.
Anastasios K. Papageorgiou Evangelos M. Papoutsis-Kiachagias Kyriakos C. Giannakoglou 《国际流体数值方法杂志》2022,94(1):59-75
This article contributes to the development of methods for shape optimization under uncertainties, associated with the flow conditions, based on intrusive Polynomial Chaos Expansion (iPCE) and continuous adjoint. The iPCE to the Navier–Stokes equations for laminar flows of incompressible fluids is developed to compute statistical moments of the Quantity of Interest which are, then, compared with those obtained through the Monte Carlo method. The optimization is carried out using a continuous adjoint-enabled, gradient-based loop. Two different formulations for the continuous adjoint to the iPCE PDEs are derived, programmed, and verified. Intrusive PCE methods for the computation of the statistical moments require mathematical development, derivation of a new system of governing equations and their numerical solution. The development is presented for a chaos order of two and two uncertain variables and can be used as a guide to those willing to extend this development to a different set of uncertain variables or chaos order. The developed method and software, programmed in OpenFOAM, is applied to two optimization problems pertaining to the flow around isolated airfoils with uncertain farfield conditions. 相似文献
2.
Engineering Homochiral Metal–Organic Frameworks by Spatially Separating 1D Chiral Metal–Peptide Ladders: Tuning the Pore Size for Enantioselective Adsorption 下载免费PDF全文
Dr. Kyriakos C. Stylianou Dr. Laura Gómez Dr. Inhar Imaz Dr. Cristóbal Verdugo‐Escamilla Dr. Xavi Ribas Prof. Daniel Maspoch 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(28):9964-9969
The reaction of the chiral dipeptide glycyl‐L(S)‐glutamate with CoII ions produces chiral ladders that can be used as rigid 1D building units. Spatial separation of these building units with linkers of different lengths allows the engineering of homochiral porous MOFs with enhanced pore sizes, pore volumes, and surface areas. This strategy enables the synthesis of a family of isoreticular MOFs, in which the pore size dictates the enantioselective adsorption of chiral molecules (in terms of their size and enantiomeric excess). 相似文献
3.
Direct On‐Surface Patterning of a Crystalline Laminar Covalent Organic Framework Synthesized at Room Temperature 下载免费PDF全文
Alejandro de la Peña Ruigómez David Rodríguez‐San‐Miguel Dr. Kyriakos C. Stylianou Dr. Massimiliano Cavallini Dr. Denis Gentili Dr. Fabiola Liscio Prof. Silvia Milita Dr. Otello Maria Roscioni Dr. Maria Luisa Ruiz‐González Carlos Carbonell Prof. Daniel Maspoch Dr. Rubén Mas‐Ballesté Dr. José Luis Segura Dr. Félix Zamora 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(30):10666-10670
We report herein an efficient, fast, and simple synthesis of an imine‐based covalent organic framework (COF) at room temperature (hereafter, RT‐COF‐1 ). RT‐COF‐1 shows a layered hexagonal structure exhibiting channels, is robust, and is porous to N2 and CO2. The room‐temperature synthesis has enabled us to fabricate and position low‐cost micro‐ and submicropatterns of RT‐COF‐1 on several surfaces, including solid SiO2 substrates and flexible acetate paper, by using lithographically controlled wetting and conventional ink‐jet printing. 相似文献
4.
Noli Fotini Papadopoulos Pavlos Kolias Pavlos Tsiridis Eleftherios Papavasiliou Kyriakos Sayegh Fares 《Journal of Radioanalytical and Nuclear Chemistry》2019,322(2):621-628
Determination of metals and trace elements in patients with total knee or hip arthroplasty with CoCrMo alloy was performed. Blood, urine and cerebrospinal fluid (CSF) samples were analyzed and compared with samples from healthy people. Levels of Co, Cr as well as Na, Ca, Fe, Zn, Se, Rb, Sb and Br were determined by means of neutron activation analysis. The values of Cr and Co of the blood and urine measurements were elevated in patients with replacement, and according to the statistical analysis, significant differences of the elements Zn, Br, Co and Sb were found in the CSF (p?<?0.05).
相似文献5.
Miaoyong Cao John Wesson Kyriakos Loufakis Bernhard Wunderlich Martin Möller 《Molecular Crystals and Liquid Crystals》2013,570(2-4):231-241
Three cyclic methyl and ethyl substituted silanes were synthesized and their thermal properties analyzed. All show a plastic crystalline state which permits also ring and/or side-chain conformational motion as judged from the enthalpies of transition to the isotropic state. Heat capacity data and entropies of disordering into the plastic crystal leave open the possibility of a condis (conformationally disordered) state below the plastic crystal state with a continuous, transitionless freezing of the conformational motion at lower temperature. 相似文献
6.
Kyriakos C. Stylianou John Bacsa Darren Bradshaw Matthew J. Rosseinsky 《无机化学与普通化学杂志》2014,640(11):2123-2131
The reaction of NiII with a tetra‐benzoate pyrene ligand produces a 3D porous framework based on infinite 1D NiII chains. The NiII–O connectivity and the formation of a hydroxo‐bridge (μ3‐OH) responsible for the connection of the central NiII atoms within the 1D NiII–(μ3‐OH)2–NiII chains can be straightforwardly compared with the TiIV–O–TiIV connectivity seen in TiO2. The arrangement of the TBAPy ligand around the 1D rutile‐based chains leads in the generation of a porous framework with two distinct types of pores; based on the chemistries of these two types of pores, one can be labelled as hydrophobic and the other as hydrophilic. The use of different activation methods results in the generation of either a porous framework free of guest molecules or a completely solvent‐free material, in which the terminal H2O molecules bound to NiII were removed, leading thus to a framework with open NiII sites. CO2 isotherms collected on both frameworks at 195 K and one barshowed type I isotherms characteristic of microporous materials (BET surface areas for: guest‐free framework: 257(3) m2 · g–1; solvent‐free framework: 362(2) m2 · g–1). The affinity of both networks at zero coverage for both CO2 and CH4 was found to be greater when the unsaturated NiII sites are available within the void space. 相似文献
7.
James S. Pizey Kyriakos Symeonides 《Phosphorus, sulfur, and silicon and the related elements》2013,188(1-2)
Abstract We have found that the treatment of certain β-keto-esters or 1,3-diketones with thionyl chloride gives either a sulphide or a sulphinyl chloride together with the chloro-compound depending on the structure of the active methylene compound. In certain cases cyclisation of sulphide provides a useful route to a 1,4-oxathiin. 相似文献
8.
To date, the synthesis of peptides is concurrent with the production of enormous amounts of toxic waste. DMF, CH2Cl2, and NMP are three of the most toxic organic solvents used in chemical synthesis and are the most common solvents used for peptide synthesis. Additionally, concerns about the hepatotoxicity caused by exposure to DMF and from the toxic and allergenic nature of additives used in peptide synthesis necessitates the need for a green, environmentally friendly, and safer protocol for peptide synthesis. This review summarizes the current literature on green solid‐phase peptide synthesis successes and challenges encountered. The review concludes with suggestions for future research towards a simple and efficient green peptide synthesis protocol. 相似文献
9.
10.
Jianqi Zhang Dorthe Posselt Detlef‐M. Smilgies Jan Perlich Konstantinos Kyriakos Sebastian Jaksch Christine M. Papadakis 《Macromolecular rapid communications》2014,35(18):1622-1629
The nanostructures of thin films spin‐coated from binary blends of compositionally symmetric polystyrene‐b‐polybutadiene (PS‐b‐PB) diblock copolymer having different molar masses are investigated by means of atomic force microscopy (AFM) and grazing‐incidence small‐angle X‐ray scattering (GISAXS) after spin‐coating and after subsequent solvent vapor annealing (SVA). In thin films of the pure diblock copolymers having high or low molar mass, the lamellae are perpendicular or parallel to the substrate, respectively. The as‐prepared binary blend thin films feature mainly perpendicular lamellae in a one‐phase state, indicating that the higher molar mass diblock copolymer dominates the lamellar orientation. The lamellar thickness decreases linearly with increasing volume fraction of the low molar mass diblock copolymer. After SVA, well‐defined macrophase‐separated nanostructures appear, which feature parallel lamellae near the film surface and perpendicular ones in the bulk.