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1.
Utamima Amalia Reiners Torsten Ansaripoor Amir H. 《Annals of Operations Research》2022,316(2):955-977
Annals of Operations Research - In recent years, operations research in agriculture has improved the harvested yield, reduced the cost and time required for field operations, and maintained... 相似文献
2.
Structural Chemistry - Carbon force fields are widely used for obtaining structural properties of carbon nanomaterials. We evaluate the performance of a wide range of carbon force fields for... 相似文献
3.
Flat plates, both single and in tandem or side by side arrangement, are widely used in many engineering applications. Despite vast investigations of the flow structures and wakes downstream of these bluff bodies, this unsteady phenomenon yet remains a fundamental issue in many industrial applications. This paper reviews the state of the art concerning the flow over flat plates in different arrangements focusing on plates normal to the flow. Turbulent wake regions are discussed for the flat plates in side by side or tandem arrangement. Numerical studies are reviewed with emphasis on the realized turbulent models. The effect of the chosen turbulence model on the prediction of the wake region is discussed. 相似文献
4.
Caesium carbonate supported on hydroxyapatite‐encapsulated Ni0.5Zn0.5Fe2O4 nanocrystallites as a novel magnetically basic catalyst for the one‐pot synthesis of pyrazolo[1,2‐b]phthalazine‐5,10‐diones 下载免费PDF全文
Behrooz Maleki Samaneh Barat Nam Chalaki Samaneh Sedigh Ashrafi Esmail Rezaee Seresht Farid Moeinpour Amir Khojastehnezhad Reza Tayebee 《应用有机金属化学》2015,29(5):290-295
A novel nanomagnetic basic catalyst of caesium carbonate supported on hydroxyapatite‐coated Ni0.5Zn0.5Fe2O4 magnetic nanoparticles (Ni0.5Zn0.5Fe2O4@HAP‐Cs2CO3) was prepared. This new catalyst was fully characterized using Fourier transform infrared spectroscopy, transmission and scanning electron microscopy, X‐ray diffraction and vibrating sample magnetometry techniques, and then the catalytic activity of this catalyst was investigated in the synthesis of 1H‐pyrazolo[1,2‐b]phthalazine‐5,10‐dione derivatives. Also, Ni0.5Zn0.5Fe2O4@HAP‐Cs2CO3 could be reused at least five times without significant loss of activity and could be recovered easily by applying an external magnet. Thus, the developed nanomagnetic catalyst is potentially useful for the green and economic production of organic compounds. Copyright © 2015 John Wiley & Sons, Ltd. 相似文献
5.
Dr. Mandeep Singh Ephrath Solel Prof. Ehud Keinan Dr. Ofer Reany 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(2):536-540
Semithiobambusurils, which represent a new family of macrocyclic host molecules, have been prepared by a convenient, scalable synthesis. These new cavitands are double functional: they strongly bind a broad variety of anions in their interiors and metal ions at their sulfur‐edged portals. The solid‐state structure of semithiobambus[4]uril with HgCl2 demonstrates the ability of these compounds to form linear chains of coordination polymers with thiophillic metal ions. The crystal structure of semithiobambus[6]uril with tetraphenylphosphonium bromide exhibits the unique anion‐binding properties of the host cavity and the characteristics of the binding site. 相似文献
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Ephrath Solel Doron Pappo Ofer Reany Tom Mejuch Renana Gershoni-Poranne Mark Botoshansky Amnon Stanger Ehud Keinan 《Chemical science》2020,11(48):13015
Flat corannulene has been considered so far only as a transition state of the bowl-to-bowl inversion process. This study was driven by the prediction that substituents with strong steric repulsion could destabilize the bowl-shaped conformation of this molecule to such an extent that the highly unstable planar geometry would become an isolable molecule. To examine the substituents'' effect on the corannulene bowl depth, optimized structures for the highly-congested decakis(t-butylsulfido)corannulene were calculated. The computations, performed with both the M06-2X/def2-TZVP and the B3LYP/def2-TZVP methods (the latter with and without Grimme''s D3 dispersion correction), predict that this molecule can achieve two minimum structures: a flat carbon framework and a bowl-shaped structure, which are very close in energy. This rather unusual compound was easily synthesized from decachlorocorannulene under mild reaction conditions, and X-ray crystallographic studies gave similar results to the theoretical predictions. This compound crystallized in two different polymorphs, one exhibiting a completely flat corannulene core and the other having a bowl-shaped conformation.The first flat metal-free corannulene derivative was predicted by computations and achieved by synthesis. 相似文献
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Physics of Atomic Nuclei - Using the equation of state, on the basis of perturbation theory, the thermophysical properties of the main combustion products N2, O2, CO2, and H2 of organic substances... 相似文献
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