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排序方式: 共有8182条查询结果,搜索用时 15 毫秒
1.
Fernández Julio R. Gallego Inés Jiménez-Losada Andrés Ordóñez Manuel 《Fuzzy Optimization and Decision Making》2022,21(4):531-551
Fuzzy Optimization and Decision Making - Cost-allocation problems in a fixed network are concerned with distributing the costs for use by a group of clients who cooperate in order to reduce such... 相似文献
2.
Numerical Algorithms - An inverse central ordering of the nodes is proposed for the Newton interpolation formula. This ordering may improve the stability for certain distributions of nodes. For... 相似文献
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Muñoz-Villamizar A. Santos J. Grau P. Viles E. 《Central European Journal of Operations Research》2021,29(4):1219-1230
Central European Journal of Operations Research - Environmental efficiency should not be treated independently of production efficiency. Several studies have demonstrated that lean management can... 相似文献
6.
Perdew-Burke-Ernzerhof (PBE) and PBE adapted for solids (PBEsol) are exchange-correlation (xc) functionals widely used in density functional theory simulations. Their differences are the exchange, μ, and correlation, β, coefficients, causing PBEsol to lose the Local Spin Density (LSD) response. Here, the μ/β two-dimensional (2D) accuracy landscape is analyzed between PBE and PBEsol xc functional limits for 27 transition metal (TM) bulks, as well as for 81 TM surfaces. Several properties are analyzed, including the shortest interatomic distances, cohesive energies, and bulk moduli for TM bulks, and surface relaxation degree, surface energies, and work functions for TM surfaces. The exploration, comparing the accuracy degree with respect experimental values, reveals that the found xc minimum, called VV, being a PBE variant, represents an improvement of 5% in mean absolute percentage error terms, whereas this improvement reaches ~11% for VVsol, a xc resulting from the restoration of LSD response in PBEsol, and so regarded as its variant. 相似文献
7.
Dr. Silvia Castro-Fernández Carlos M. Cruz Dr. Inês F. A. Mariz Dr. Irene R. Márquez Vicente G. Jiménez Lucía Palomino-Ruiz Prof. Juan M. Cuerva Dr. Ermelinda Maçôas Dr. Araceli G. Campaña 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(18):7205-7211
A new family of distorted ribbon-shaped nanographenes was designed, synthesized, and their optical and electrochemical properties were evaluated, pointing out an unprecedented correlation between their structural characteristics and the two-photon absorption (TPA) responses and electrochemical band gaps. Three nanographene ribbons have been prepared: a seven-membered-ring-containing nanographene presenting a tropone moiety at the edge, its full-carbon analogue, and a purely hexagonal one. We have found that the TPA cross-sections and the electrochemical band gaps of the seven-membered-ring-containing compounds are higher and lower, respectively, than those of the fully hexagonal polycyclic aromatic hydrocarbon (PAH). Interestingly, the inclusion of additional curvature has a positive effect in terms of non-linear optical properties of those ribbons. 相似文献
8.
Ariel Carreño-Montero Luis A. Maldonado María Isabel Chávez Simón Hernández-Ortega Guillermo Delgado 《Tetrahedron letters》2019,60(48):151282
The synthesis of ethyl (2′-hydroxy-4′,5′-methylendioxophenyl)acetate, a fragment of the antihyperglycemic natural coumarin subcoriacin, is reported. We found an expeditious route to the title compound in five steps. Final metal catalyzed acid ethanolysis of the vinylic 1,1-methylthio methylsulfoxide derivative afforded the required aryl acetic ester, but in the absence of metal catalyst, an unexpected Pummerer rearrangement produced the 2,3-dimethylthiofuran derivative as the major product. This last result provides an alternative entry to 2,3-dimethlythiobenzofurans. 相似文献
9.
Reversible Activation of Water by an Air- and Moisture-Stable Frustrated Rhodium Nitrogen Lewis Pair
Dr. María Carmona Dr. Joaquina Ferrer Dr. Ricardo Rodríguez Dr. Vincenzo Passarelli Prof. Dr. Fernando J. Lahoz Dr. Pilar García-Orduña Dr. Laura Cañadillas-Delgado Prof. Dr. Daniel Carmona 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(60):13665-13670
[Cp*Rh(κ3N,N′,P- L )][SbF6] (Cp*=C5Me5), bearing a guanidine-derived phosphano ligand L , behaves as a “dormant” frustrated Lewis pair and activates H2 and H2O in a reversible manner. When D2O is employed, a facile H/D exchange at the Cp* ring takes place through sequential C(sp3)−H bond activation. 相似文献
10.
da Silva Pedro Rafael Sena Laís Cristina Santana Silva Rubens Pedro Lorena de Santana Danielle Cristine Almeida Silva de Santana Fernando José Malagueño 《Analytical and bioanalytical chemistry》2019,411(16):3447-3461
Analytical and Bioanalytical Chemistry - This study aimed to determine simultaneously five major street cocaine adulterants (caffeine, lidocaine, phenacetin, diltiazem, and hydroxyzine) in human... 相似文献