排序方式: 共有35条查询结果,搜索用时 15 毫秒
1.
Hamid Reza Shaterian Asghar Hosseinian Majid Ghashang Fahimeh Khorami Neda Karimpoor 《Phosphorus, sulfur, and silicon and the related elements》2013,188(9):2333-2338
An environmentally friendly procedure for the preparation of dihydropyrimidinone derivatives or their sulfur analogues under thermal solvent-free conditions in the presence of aluminium hydrogen sulfate [Al(HSO4)3] and alumina sulfuric acid (Al2O3-SO3H) as heterogeneous catalysts was developed. 相似文献
2.
Hamid Reza Shaterian Asghar Hosseinian Majid Ghashang 《Phosphorus, sulfur, and silicon and the related elements》2013,188(12):3136-3144
Herein, we describe a green procedure for the one-pot preparation of 1,8-dioxo-octahydroxanthene derivatives by condensation of dimedone and substituted benzaldehydes in the presence of FeCl 3 -SiO 2 as an efficient and heterogeneous catalyst under microwave irradiation and thermal conditions. This method has the advantages of high yields, cleaner reactions, efficient and cost-effective method, simple methodology, short reaction times, easy workup, and greener conditions. 相似文献
3.
A series of three-component reactions has been carried out using HClO4-SiO2 as a versatile heterogeneous catalyst. A series of new and novel N-protected 1-aminoalkyl-2-naphthol derivatives have been prepared under thermal solvent-free reaction conditions. In all cases, the reaction conditions were very simple and high-yielding. 相似文献
4.
Adsorption sensitivity of pristine and Al- or Si-doped boron nitride nanoflake to COCl2: a DFT study
ABSTRACTThe adsorption of phosgene (COCl2) on pristine, Al- and Si-doped boron nitride nanoflakes (BNNFs) is studied using density functional theory calculations. The adsorption energies of the most stable complexes, formed from interaction between COCl2 and the pristine, Al- and Si-doped BNNFs are ?28.97, ?78.71 and ?171.60?kJ/mol at the M06-2X/6-31?+?G* level of theory, respectively. It is found that COCl2 experiences a chemisorption interaction over the doped BNNFs, significantly altering its structure with respect to the gas-phase molecule. The COCl2 adsorption can also induce a change in the HOMO–LUMO or SOMO–LUMO energy gap of the surface. In particular, the adsorption of COCl2 is found to decrease the HOMO–LUMO energy gap of Al-doped BNNF by about 30%. It is suggested that the Al- or Si-doped BNNFs can be considered as a potential material for detecting toxic COCl2. 相似文献
5.
Esmail Vessally Akram Hosseinian Ladan Edjlali Ebrahim Ghorbani-Kalhor Rahim Hosseinzadeh-Khanmiri 《Journal of the Iranian Chemical Society》2017,14(11):2339-2353
Indole derivatives are an important class of heterocycle found in a large number of natural products and synthetic pharmaceuticals. Given the low cost and easy availability of N-propargyl anilines, synthesis of indole cores from these versatile structural motifs has attracted a lot of attention in the past decade. In this review, we summarize the most representative and interesting reports on this rapidly advancing area, with special emphasis on mechanistic aspects of the reactions. 相似文献
6.
Seyedmohammadhossein Hosseinian Dalila B. M. M. Fontes Sergiy Butenko 《Journal of Global Optimization》2018,72(2):219-240
The maximum edge weight clique (MEWC) problem, defined on a simple edge-weighted graph, is to find a subset of vertices inducing a complete subgraph with the maximum total sum of edge weights. We propose a quadratic optimization formulation for the MEWC problem and study characteristics of this formulation in terms of local and global optimality. We establish the correspondence between local maxima of the proposed formulation and maximal cliques of the underlying graph, implying that the characteristic vector of a MEWC in the graph is a global optimizer of the continuous problem. In addition, we present an exact algorithm to solve the MEWC problem. The algorithm is a combinatorial branch-and-bound procedure that takes advantage of a new upper bound as well as an efficient construction heuristic based on the proposed quadratic formulation. Results of computational experiments on some benchmark instances are also presented. 相似文献
7.
Nathamgari S. S. P. Dong S. Hosseinian E. Lauhon L. J. Espinosa H. D. 《Experimental Mechanics》2019,59(3):349-359
Experimental Mechanics - Nanoelectromechanical (NEMS) systems fabricated using atomically thin materials have low mass and high stiffness and are thus ideal candidates for force and mass sensing... 相似文献
8.
Vessally E. Moladoust R. Mousavi-Khoshdel S. M. Esrafili M. D. Hosseinian A. Edjlali L. 《Structural chemistry》2018,29(2):585-592
Structural Chemistry - We investigated the chloropicrin adsorption on the BN nanocones using DFT calculations. We selected two kinds of BN nanocones with 180? disclination angle entailing BN-N... 相似文献
9.
Hassan Hadadzadeh S. Jamil A. Fatemi Seyedeh Raziyeh Hosseinian Hamid Reza Khavasi Rainer Pöttgen 《Polyhedron》2008
The structure, spectroscopy and electrochemical properties of a novel dinuclear copper(II) complex, [{Cu(phen)2}2(μ-CH3COO)][PF6]3 where phen = 1,10-phenanthroline, is reported. The crystal structure contains two independent Cu(II) ions, with different geometry around each copper center, which are bridged by an acetate anion. The acetate-bridged ligand shows a syn–anti coordination mode with a trigonal bipyramidal geometry for the Cu(1) center and a distorted square-based pyramidal geometry for the Cu(2) center. The angular structural index parameter τ for Cu(1) and Cu(2) is 0.9 and 0.33, respectively. The copper(II) atoms display a different geometry with a N4O chromophore group and with Cu–O distances of 1.993(5)–1.996(5) Å and Cu–N distances which vary from 1.980(5) to 2.161(6) Å. The intra Cu…Cu separation is 4.9904(5) Å. The effective magnetic moment (μeff) of the complex was measured by the Evans method. The cyclic voltammogram of [{Cu(phen)2}2(μ-CH3COO)][PF6]3 shows two waves at positive potential which are assigned to the two Cu(II/I) reduction couples. 相似文献
10.
Mohammad Maleki Mohammad Hasan Naei Ehsan Hosseinian 《International Journal of Solids and Structures》2012,49(17):2230-2238
In this paper, exact three-dimensional analysis for torsion of multilayer piezoelectric transducers is presented to highlight the remarkable effects of electrode and size effects on interface stresses and deformation. A generalized formulation is introduced for torsion of an arbitrarily layered cross section. In order to reach an advanced and better device, multilayer piezoelectric materials with different properties are formulated while axis of torsion and the polarization axes of each layer make different orientations with respect to each other. An exact formulation for n-layer piezoelectric device with rectangular cross section is presented to compensate considerable deviation of previous studies’ results from exact solution due to the assumption of linear distribution for the electric potential. In order to improve the performance of the transducers, being utilized in industry, several case studies are presented in order to investigate the influence of different parameters, e.g. thickness and material properties of electrodes over shear and peel stresses. Besides, a correction factor is introduced to completely compensate the effect of ignoring electrodes. 相似文献