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1.
An efficient way of obtaining travelling waves in a periodic fluid system is described and tested. We search for steady states in a reference frame travelling at the wave phase velocity using a first‐order pseudospectral semi‐implicit time scheme adapted to carry out the Newton's iterations. The method is compared to a standard Newton–Raphson solver and is shown to be highly efficient in performing this task, even when high‐resolution grids are used. This method is well suited to three‐dimensional calculations in cylindrical or spherical geometries. Copyright © 2006 John Wiley & Sons, Ltd. 相似文献
2.
Mercedes Amat Marta Huguet Oriol Bassas Joan Bosch Josefa Badia Juan Aguilar 《Tetrahedron letters》2004,45(28):5355-5358
Cyclocondensation of (R)-phenylglycinol with appropriately γ-substituted δ-oxo acid derivatives provides bicyclic lactams from which the enantioselective synthesis of 1-deoxy-d-gulonojirimycin has been reported. 相似文献
3.
Montserrat Ferrer Anna Juli Roser Reina Oriol Rossell Miquel Seco Dominique de Montauzon 《Journal of organometallic chemistry》1998,560(1-2)
Treatment of [(ClAu)2(diphosphine)] {diphosphine=bis(diphenylphosphino)methane (dppm), bis(diphenylphosphino)isopropane (dppip), 1,2-bis(diphenylphosphino)ethane (dppe), 1,3-bis(diphenylphosphino)propane (dppp)} with two equivalents of the anion [Fe2(μ-CO)(CO)6(μ-PPh2)]− in the presence of TlBF4 gives the new heterometallic diclusters [{Fe2(μ-CO)(CO)6(μ-PPh2)Au}2(diphosphine)] that have been isolated and characterized. Their 31P-NMR spectra show different patterns as a function of the diphosphine ligand. The electrochemical behavior of these compounds has been investigated and compared with that of the mono- [Fe2(μ-CO)(CO)6(μ-PPh2)(μ-AuPPh3)] and tricluster [{Fe2(μ-CO)(CO)6(μ-PPh2)Au}3(triphos)] derivatives. 相似文献
4.
[reaction: see text] Racemic oxodiester 1 undergoes stereoselective cyclocondensation with (S)-tryptophanol, (S)-(3,4-dimethoxyphenyl)alaninol, or the corresponding amino acids, in a process involving a tandem dynamic kinetic resolution/desymmetrization of diastereotopic groups, to give bicyclic lactams, which are cyclized to substituted indolo[2,3-a]- and benzo[a]quinolizidines. 相似文献
5.
6.
Residual‐based stabilization of the finite element approximation to the acoustic perturbation equations for low Mach number aeroacoustics 下载免费PDF全文
Oriol Guasch Patricia Sánchez‐Martín Arnau Pont Joan Baiges Ramon Codina 《国际流体数值方法杂志》2016,82(12):839-857
The acoustic perturbation equations (APE) are suitable to predict aerodynamic noise in the presence of a non‐uniform mean flow. As for any hybrid computational aeroacoustics approach, a first computational fluid dynamics simulation is carried out from which the mean flow characteristics and acoustic sources are obtained. In a second step, the APE are solved to get the acoustic pressure and particle velocity fields. However, resorting to the finite element method (FEM) for that purpose is not straightforward. Whereas mixed finite elements satisfying an appropriate inf–sup compatibility condition can be built in the case of no mean flow, that is, for the standard wave equation in mixed form, these are difficult to implement and their good performance is yet to be checked for more complex wave operators. As a consequence, strong simplifying assumptions are usually considered when solving the APE with FEM. It is possible to avoid them by resorting to stabilized formulations. In this work, a residual‐based stabilized FEM is presented for the APE at low Mach numbers, which allows one to deal with the APE convective and reaction terms in its full extent. The key of the approach resides in the design of the matrix of stabilization parameters. The performance of the formulation and the contributions of the different terms in the equations are tested for an acoustic pulse propagating in sheared‐solenoidal mean flow, and for the aeolian tone generated by flow past a two‐dimensional cylinder. Copyright © 2016 John Wiley & Sons, Ltd. 相似文献
7.
Oriol Porcar-Tost Bernat Pi-Boleda Jordi García-Anton Ona Illa Rosa M. Ortuño 《Tetrahedron》2018,74(51):7252-7260
Two new conjugates, hcptpyDP and hcptpyTP, of a terpyridine derivative incorporating artificial peptide moieties, have been synthesized and their use in the preparation of metal catalysts and organogelators has been investigated. Ru(II) complexes derived from these ligands showed electrochemical behavior and activity as catalysts in the epoxidation of olefins similar to that of Beller's catalyst. As organogelators, these conjugates were able to gelate a variety of solvents, from toluene to methanol, with satisfactory mgc (minimum gelation concentration) values. The presence of 4′-(4-carboxy)phenylterpyridine (hcptpy) moiety allows tuning the gelling properties and also influences the supramolecular self-assembling mode to produce chiral aggregates with respect to parent peptides DP and TP. In the case of the conjugates, π?π interactions provided by the aromatic moieties cooperate with inter-molecular hydrogen bonding between NH and CO in the amide groups. Further properties of peptide/terpyridine conjugates are under investigation in view of future applications. 相似文献
8.
Kinetico‐Mechanistic Insights on the Assembling Dynamics of Allyl‐Cornered Metallacycles: The PtNpy Bond is the Keystone 下载免费PDF全文
Dr. Inmaculada Angurell Dr. Montserrat Ferrer Dr. Albert Gutiérrez Prof. Manuel Martínez Dr. Mercè Rocamora Dr. Laura Rodríguez Prof. Oriol Rossell Dipl.‐Chem. Yvonne Lorenz Dr. Marianne Engeser 《Chemistry (Weinheim an der Bergstrasse, Germany)》2014,20(44):14473-14487
The square‐like homo‐ and heterometallamacrocycles [{Pd(η3‐2‐Me‐C3H4)( L n )2}2{M(dppp)}2](CF3SO3)6 (dppp=1,3‐bis(diphenylphosphino)propane) and [{Pd(η3‐2‐Me‐C3H4)( L1 )2}2{M(PPh3)2}2](CF3SO3)6 [py=pyridine, M=Pd, Pt, L n =4‐PPh2py ( L1 ), 4‐C6F4PPh2py ( L2 )] containing allyl corners were synthesised by antisymbiotic self‐assembly of the different palladium and platinum metallic corners and the ambidentate N,P ligands. All the synthesised assemblies displayed a complex dynamic behaviour in solution, the rate of which is found to be dependent on the electronic and/or steric nature of the different building blocks. A kinetico‐mechanistic study by NMR line shape analysis of the dynamics of some of these assemblies was undertaken in order to determine the corresponding thermal activation parameters. Both an enhanced thermodynamic stability and slower dynamics were observed for platinum‐pyridine‐containing species when compared with their palladium analogues. Time‐dependent NMR spectroscopy in combination with ESI mass spectrometry was used to study the exchange between the assemblies and their building blocks, as well as that occurring between different metallamacrocycles. Preliminary studies were carried out on the activity of some of the metallamacrocyclic compounds as catalytic precursors in the allylic substitution reaction, and the results compared with that of the monometallic allylic corner [Pd(η3‐2‐Me‐C3H4)( L1 )2]+. 相似文献
9.
Single and double metallic layer-containing ruthenium dendrimers. Synthesis and catalytic properties
Angurell I Muller G Rocamora M Rossell O Seco M 《Dalton transactions (Cambridge, England : 2003)》2004,(16):2450-2457
The reaction of a series of phosphanyl-terminated carbosilane dendrimers displaying only one phosphorus ligand per arm with [RuCl(2)(p-cymene)](2) resulted in the grafting of RuCl(p-cymene) moieties on the periphery of the dendrimer. In these species, the chloride ligand is easily displaced by the organic bases pyridine, 4-cyanopyridine and 4,4[prime or minute]-bipyridine to afford new cationic metallodendrimers. NMR studies have confirmed the chirality of the ruthenium centre. The species containing 4,4[prime or minute]-bipyridine reacts through the uncoordinated pyridyl nitrogen with a new equivalent of [RuCl(2)(p-cymene)](2) or [RhCl(CO)(2)](2) to lead to homo- or hetero-bimetallic layer-containing dendrimeric systems. The ruthenodendrimers were tested as catalysts in the transfer hydrogenation of cyclohexanone by propan-2-ol and their activity compared with that of some analogous mononuclear ruthenium(ii) complexes. 相似文献
10.
Angurell I Martínez-Ruiz I Rossell O Seco M Gómez-Sal P Martin A 《Chemical communications (Cambridge, England)》2004,(15):1712-1713
Tri(N-pyrrolyl)phosphine reacted with the sigma/pi complex [Pd(mu-Cl)(COD-MeO)]2 to give the octa-cycle [Pd(mu-Cl)[P(pyrl)3]]8 containing four Pd(I)-Pd(I) unbridged bonds. 相似文献