Reactionmechanism相关论文
对比研究了商业Fe-Si-B非晶(Fe-Si-BMG)粉末和目前广泛应用的零价铁粉(ZVI,Fe0)对水溶液中重金属离子Ni(Ⅱ)的去除性能.动力学分析......
MnO2 cathode materials with the improved stability via nitrogen doping for aqueous zinc-ion batterie
The research and exploration of manganese-based aqueous zinc-ion batteries have been controversial of cycle stability an......
The reaction mechanism of ethanol dehydration over SAPO-34 zeolite is investigated by using solid-state NMR spectroscopy......
Theoretical investigation on the elusive biomimetic iron(Ⅲ)-iodosylarene chemistry: An unusual hydri
Introduction of iodosylarnes into biomimetic nonheme chemistry has made great achievement on iden-tification of the subt......
Polyarsenides containing coinage metals,[As7Cu(PPh3)]2-(1) and[M2As14]4-(M =Cu,2;Ag,3),were synthesized by reactions of ......
Effect of vanadium content on microstructure and properties of in situ TiC reinforced VxFeCoNiCu mul
VxFeCoNiCu high entropy alloy matrix composites reinforced by in situ TiC particles (10 vol.％),i.e.,VxFeCoNiCu/TiC compos......
Selective catalytic reduction of NOx with NH3:opportunities and challenges of Cu-based small-pore ze
Zeolites,as efficient and stable catalysts,are widely used in the environmental catalysis field.Typically,Cu-SSZ-13 with......
Syngas to ethanol,consisting of dimethyl ether (DME) carbonylation to methyl acetate (MA) over zeolites and MA hydrogena......
The coal hydrogenation reaction process is simply considered as three steps. In the first step, the smaller molecules as......
Discussed latest research results of basic theory research of coal spontaneous combustion in detail, with quantum chemic......
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Density Function Theory Study on the Reaction Mechanism of Cerium with Oxygen for Ce-bearing Aerosol
We obtained the reaction mechanism of cerium with oxygen by means of density functional theory (DFT) under the explosive......
Waste can be greatly reduced by thermal treatment with energy recovery,however heavy metals with environmental toxicity ......
Difluorocarbene (1CF2) is thought to an important species in fluorocarbon plasmas used in the etching of Si and SiO2 sur......
The reduction kinetics of ilmenite was investigated.Phase evolution during the reduction process was identified by XRD a......
3-iodomethyl cephalosporins are useful intermediates in the preparation of a variety of heterocycle-substituted cephalos......
The (Mol-xNbx)Si2 (0≤x≤0.5) was successfully prepared using the combustion synthesis method by Mo, Nb, and Si elementa......
Quantum Mechanical Investigation of the Reaction Mechanisms for theFormationofC7H7+fromo-,m-,andp-io
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Theoretical calculations of dehydrogenation and dehydration reactions of formic acid on the α-Al2O3(
Alumina is used extensively as a substrate for heterogeneous catalysis.Formic acid is the potential source of H2 for fue......
Light olefins including ethene,propene and butadiene are fundamental feeds of organic industry.Steam cracking is the tra......
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Computational Evidence for Hydrogen Generation by Reductive Cleavage of Water and α-H Abstraction on
Long-standing hypothesis now verified: H2 generation by reductive cleavage of water and α-H abstraction has long been c......
Reaction mechanisms of [2+2] cycloaddition of ketene and ketimine catalyzed by N-heterocyclic carben
N-heterocyclic carbenes (NHCs) have attracted great attention because of their high and special activity[1].Recently,NHC......
Activation of permanganate by graphite for enhanced degradation of SMX:the roles of Manganese-Oxo Sp
The degradation rate of SMX with Mn(Ⅶ)alone is relatively slow(11.2%),and the adsorption efficiency of graphite for SMX......
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Heparin is an animal tissue extract that is widely used as an anticoagulant drug with more than 100 tons produced annual......
DFT Study on the Mechanisms of Phosphine-Catalyzed [2+4] Annulation of Allenoates with Thiazolone-De
Phosphine-catalyzed annulation reactions of allenaotes have emerged as a powerful tool for the synthesis of carbocyclic ......
Mechanistic Study on site-selective C-H (C-4/C-8) alkynylation of isoquinolones catalyzed by gold an
The isoquinolones have caused widespread concern because of its specific structural motifs [1].The method of the transit......
Transition-metal catalyzed C-H bond functionalization have emerged as a powerful synthetic method and been extensively r......
Allylmetal species are important intermediates in organic synthesis.[1] Recently, Stamatis E. Korkis and co-workers[2] f......
Structure dependence and reaction mechanism of CO oxidation:A model study on macroporous CeO2and CeO
Three-dimensionally ordered macroporous(3DOM)CeO2 and CeO2-ZrO2 oxides with different particle sizes,oxygen vacancy conc......
The reactions of sixteen reaction systems of four hydroxyl-substituted alkylperoxy(HORO2)radicals with four Criegee inte......
First-principles quantum mechanical/molecular mechanical(QM/MM)-free energy calculations1-4 have been performed to uncov......
Mechanism of Gold(I)-catalyzed Diazo Cross-Coupling of Aryldiazoacetate with Vinyldiazoacetate:A DFT
Pyrazoles and their derivatives are vital components of material sciences,medicines and synthetic intermediates[1-3].Thu......
Facile One-Pot Palladium-Catalyzed Sequential Coupling to Diarylmethanes by Using Aryl Methyl Ketone
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Boron Dipyrromethane(Bodipy)is one of the most investigated fluorophores,which has been widely used in fluorescent sensi......
Environment-sensitive hydrogel is a sensitive hydrogel that responses to outside stimuli.A new temperature-and pH-sensit......
Theoretical Investigations on the Reaction Containing Sulfur And Nitrogen Species in Combustion Chem
Aerosol particles suspended in the air not only affect the visibility of atmosphere,but also harm human health.Combustio......
Solutions to a set of independent reaction equations for plasma systems using atomic matrix algorith
This paper presents solutions to maximal mdependent reaction numbers and stoichiometric coefficients for all the chemica......
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Heterogeneous catalysis is central for efficient energy and matter transformation in chemistry industry....
Catalytic Mechanisms of Pyridoxal-5′-phosphate(PLP)-DependentTryptophan Synthase-Catalyzed Amino Aci
Inspired by our previous studies,[1-5] the detailed mechanism of tryptophan synthase(TrpS)-catalyzed condensation reacti......
4-Amino-4-deoxychorismate lyase(ADCL)is a member of PLP dependent enzymes that converts 4-amino-4-deoxychorismate(ADC)to......
Insights into the NHC-catalyzed Enantioselective and Chemoselective α-Fluorination of Aliphatic Alde
Based on the Wangs experiment,1 the reaction mechanism,stereoselectivity,and chemoselectivity on oxidative α-fluorinati......
Photoassisted Nitrous Oxide Decomposition over Water Interfaced Oxotitanium Porphyrin:Theoretical St
Reaction mechanism of nitrous oxide(N2O)decomposition to N2 and O2 catalyzed by oxotitanium(IV)porphyrin(TiO-por)photoas......
A systematic investigation over the formation mechanism of the subphthalocyanine,SubPc(Cl),with phthalonitrile as the in......
Polybrominated diphenyl ethers (PBDEs) are used widely as flame retardants and have been confirmed to be environment pol......
The excessive emission of CO2 has caused many environmental issues and is severely threatening the eco-system.CO2 electr......
Study on the role of copper converter slag in simultaneously removing SO2 and NOx using KMnO4/copper
To achieve“waste controlled by waste”,a novel wet process using KMnO4/copper converter slag slurry for simultaneously ......
