Keywords: مکانیسم واکنش; Isomerization; Allenamide; Allene; Reaction mechanism; DFT; Kinetic isotope effect;
مقالات ISI مکانیسم واکنش (ترجمه نشده)
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Keywords: مکانیسم واکنش; iso-Butanol; Pyrolysis; Combustion; Reaction mechanism;
Keywords: مکانیسم واکنش; 17β-HSD; 17β-hydroxysteroid dehydrogenase; COMT; catechol-O-methyl transferase; DHEA(S); dehydroepiandrosterone (sulfate); DHETNA; O5â²-[9-(3,17β-dihydroxy-1,3,5(10)-estratrien-16β-yl)-nonanoyl]adenosine; DNC; 3,5-dinitrocatechol; E1(S); estrone (sul
Keywords: مکانیسم واکنش; DAP; diaminopimelate; AAA; α-aminoadipate; SDH; saccharopine dehydrogenase; α-Kg; α-ketoglutarate; NAD; nicotinamide adenine dinucleotide [the + charge is omitted for convenience]; NADH; reduced nicotinamide adenine dinucleotide; AMP; adenosine monopho
Keywords: مکانیسم واکنش; Solid propellant; Combustion; Reaction mechanism; Zirconium hydride; Hydrogen; Ammonium perchlorate;
Keywords: مکانیسم واکنش; CO2 recovery; Electro-cycloaddition; Density functional calculations; Reaction mechanism; Ionic liquids
Keywords: مکانیسم واکنش; 2,4,6-Trichlorophenol; Sulfate radical; Activated carbon; Peroxymonosulfate; Reaction mechanism
Keywords: مکانیسم واکنش; Non-thermal plasma; Chloroform; Dechlorination; Reaction mechanism
Keywords: مکانیسم واکنش; Emerging contaminants; Ibuprofen; Reaction mechanism; Venturi reactor; Modeling; Intermediates
Keywords: مکانیسم واکنش; Carbon aerogel; Oxidation; Reaction mechanism; Pore structure; Thermal analysis
Keywords: مکانیسم واکنش; Radioiodine; Halogen bonds; Ionic liquid; Reaction Mechanism; DFT; FT-IR ATR; UV/vis
Keywords: مکانیسم واکنش; Uranium (VI); Adsorption; Bentonite; Surfactant HDTMA; Reaction mechanism
Keywords: مکانیسم واکنش; H2O2; Reaction mechanism; Adsorption; DFT; Oxidized Pd; C3H6; Propylidyne
Keywords: مکانیسم واکنش; Ozone; Aromatic N-heterocycles; Reaction kinetics; Reaction stoichiometry; Reaction mechanism; Transformation products
Keywords: مکانیسم واکنش; CO2/CO hydrogenation; Metal-doped copper surfaces; Density functional theory; Reaction mechanism; Synthesis of methanol formic acid, formaldehyde
Keywords: مکانیسم واکنش; Lithium ion battery; High voltage; LiNi0.5Mn1.5O4 electrode; Sulfolane; Reaction mechanism
Reaction mechanism between porous ferrosilicon nitride ceramic and molten steel
Keywords: مکانیسم واکنش; Fe3Si-Si3N4; Sliding gate; Reaction mechanism;
Computational study on the mechanisms and kinetics of the CH2â¯=â¯CHCH2F with O(3P) reaction
Keywords: مکانیسم واکنش; CH2â¯=â¯CHCH2F; O(3P); Reaction mechanism; PES; RRKM;
Achieving efficient and inexpensive vanadium flow battery by combining CexZr1âxO2 electrocatalyst and hydrocarbon membrane
Keywords: مکانیسم واکنش; Vanadium flow battery; CexZr1âxO2 electrocatalyst; Reaction mechanism; SPEEK membrane; Capacity fading;
Non-isothermal oxidation kinetics of nano-laminated Cr2AlC MAX phase
Keywords: مکانیسم واکنش; MAX phase; Non-isothermal thermal kinetics; Activation energy; Reaction mechanism;
Synthesis of nano-Ag-assisted attapulgite/g-C3N4 composites with superior visible light photocatalytic performance
Keywords: مکانیسم واکنش; Attapulgite; g-C3N4; Visible light photocatalysis; Ag; Reaction mechanism;
Synergetic transformations of multiple pollutants driven by BiVO4-catalyzed sulfite under visible light irradiation: Reaction kinetics and intrinsic mechanism
Keywords: مکانیسم واکنش; Photocatalysis; Sulfite radical; BiVO4; Visible light; Reaction mechanism;
Kinetic study of selective hydrogenation of crotonaldehyde over Fe-promoted Ir/BN catalysts
Keywords: مکانیسم واکنش; α,β-unsaturated aldehyde; Promoting effect; Kinetics; Active sites; Reaction mechanism;
Mechanism of rhodium(III)-catalyzed formal C(sp3)H activation/spiroannulation of α-arylidene pyrazolones with alkynes: A computational study
Keywords: مکانیسم واکنش; Rhodium; Spiroannulation; CH activation; Reaction mechanism; DFT calculations;
Promotional effect of CH3I on hydroxycarbonylation of cycloalkene using homogeneous rhodium catalysts with PPh3 ligand
Keywords: مکانیسم واکنش; CO2; Formic acid; Hydroxycarbonylation; Organorhodium complex; Reaction mechanism;
Influence of S content on the structure and ignition time of CuIn(S,Se)2 powders prepared by mechanochemical process
Keywords: مکانیسم واکنش; CuIn(S,Se)2; Mechanochemical processing; Structural properties; Ignition time; Reaction mechanism;
On the mechanism for the photooxidation of aromatic azides containing a secondary N-H bond: A sequence of intramolecular transformations with the formation of heterocyclic oximes
Keywords: مکانیسم واکنش; Photooxidation of aryl azides; Reaction mechanism; Arylnitroso oxides; Nitrile oxides; Heterocyclic oximes;
Destabilization of LiBH4 by SrF2 for reversible hydrogen storage
Keywords: مکانیسم واکنش; Lithium borohydride; Reactive hydride system; Hydrogen storage properties; Reaction mechanism;
Reaction mechanism of Al-CuO nanothermites with addition of multilayer graphene
Keywords: مکانیسم واکنش; Multilayer graphene; Al-CuO nanothermites; CuO-C reaction; AlC bond; Reaction mechanism;
Mechanism study of FeW mixed oxides to the selective catalytic reduction of NOx with NH3: in situ DRIFTS and MS
Keywords: مکانیسم واکنش; NH3-SCR; Iron-tungsten; Reaction mechanism; Intermediate;
The reaction pathways of the oxygen reduction reaction on IrN4 doped divacancy graphene: A theoretical study
Keywords: مکانیسم واکنش; IrN4 doped graphene; Oxygen reduction reaction; Reaction mechanism; Density functional method;
Carbon embedded SnSb composite tailored by carbothermal reduction process as high performance anode for sodium-ion batteries
Keywords: مکانیسم واکنش; SnSb composite with carbon; Carbothermal reduction; Anode material; Sodium ion battery; Reaction mechanism;
Green synthesis of K2TiF6:Mn4+ using KHF2 as accessory ingredient: A novel airtight solid-state strategy
Keywords: مکانیسم واکنش; Fluoride; Red phosphor; Airtight solid-state method; K2TiF6:Mn4+; W-LEDs; Reaction mechanism;
Adsorption and reaction of CO and H2O on WC(0001) surface: A first-principles investigation
Keywords: مکانیسم واکنش; CO and H2O adsorption; Density functional theory; WC (0001) surface; Reaction mechanism;
Influence of surface density on the CO2 photoreduction activity of a DC magnetron sputtered TiO2 catalyst
Keywords: مکانیسم واکنش; CO2 photoreduction; TiO2; DC-magnetron sputtering; Reaction mechanism; Peroxocarbonates;
CO2 conversion to cyclic carbonates catalyzed by ionic liquids with aprotic heterocyclic anions: DFT calculations and operando FTIR analysis
Keywords: مکانیسم واکنش; CO2 conversion; AHA ionic liquids; FTIR; Reaction mechanism; Propylene carbonate;
In-situ probing photocatalytic CC bond cleavage in ethylene glycol under ambient conditions and the effect of metal cocatalyst
Keywords: مکانیسم واکنش; Photocatalysis; Polyol conversion; Ethylene glycol; Reaction mechanism; Rate determining step; Cocatalyst; Metal nanoparticles;
Hydrogen transfer effect and reaction mechanism for catalytic hydrolysis of HCN in ionic liquids: A density functional theory study
Keywords: مکانیسم واکنش; Hydrogen transfer effect; Reaction mechanism; Density functional theory; Hydrolysis of HCN; Ionic liquids;
Properties and mechanism of d-glucosaminate-6-phosphate ammonia-lyase: An aminotransferase family enzyme with d-amino acid specificity
Keywords: مکانیسم واکنش; Pyridoxal-5â²-phosphate; Aminotransferase family; d-Amino acid; Reaction mechanism;
A DFT study on N-heterocyclic carbene catalyzed [4+2] annulation reaction with in situ generated heterocyclic ortho-quinodimethane: Mechanism, origin of enantioselectivity and role of catalyst
Keywords: مکانیسم واکنش; Reaction mechanism; NHC catalyst; Cycloaddition; DFT;
Insertion of 1-t-butylpropyne into singly tucked-in permethyltitanocene. Synthesis, crystal structure of product and transition-state geometry
Keywords: مکانیسم واکنش; Titanocene; Alkyne insertion; Crystal structure; Reaction mechanism; Metal-ligand interactions;
Comparative computational study on C-C/C-N/C-Br bond formations in Rh(III)-catalyzed C-H functionalizations: Stepwise versus concerted mechanisms
Keywords: مکانیسم واکنش; C-H functionalization; Rhodium; DFT calculation; Reaction mechanism; Stepwise pathway; Concerted pathway;
Evolution of phosphotriesterase activities of the metallo-β-lactamase family: A theoretical study
Keywords: مکانیسم واکنش; Enzyme evolution; Metallo-hydrolase; Phosphotriesterase; Reaction mechanism; Density functional theory;
DFT study of high performance Pt3Sn alloy catalyst in oxygen reduction reaction
Keywords: مکانیسم واکنش; Oxygen reduction reaction; Density functional theory; Pt3Sn alloy; Ligand effect; Reaction mechanism;
A DFT study on the mechanisms of hydrogenation and hydrosilylation of nitrous oxide catalyzed by a ruthenium PNP pincer complex
Keywords: مکانیسم واکنش; DFT calculations; Nitrous oxide; Ruthenium complex; Reaction mechanism; Hydrogenation; Hydrosilylation;
Computational study of the impact of ancillary ligands upon a tungsten (IV) imide complex for catalytic methane functionalization
Keywords: مکانیسم واکنش; Reaction mechanism; Density functional theory; Methane functionalization; Catalysis; Acid/base properties;
Origin of the superior activity of surface doped SmMn2O5 mullites for NO oxidation: A first-principles based microkinetic study
Keywords: مکانیسم واکنش; NO oxidation; SmMn2O5 mullite; Doping; Reaction mechanism; Density functional theory calculations; Microkinetic analysis;
Computational insights into the catalytic role of the base promoters in ester hydrogenation with homogeneous non-pincer-based Mn-P,N catalyst
Keywords: مکانیسم واکنش; Ester reduction; DFT calculations; Ab initio thermodynamic analysis; Catalyst deactivation; Homogeneous catalysis; Reaction mechanism; Multifunctional catalysis;
Mechanism and kinetic of nitrate radical-initiated atmospheric reactions of guaiacol (2-methoxyphenol)
Keywords: مکانیسم واکنش; Guaiacol; NO3 radical; Reaction mechanism; Theoretical; Methoxyphenols;
A modified kinetic analysis method of cellulose pyrolysis based on TG-FTIR technique
Keywords: مکانیسم واکنش; Cellulose; Pyrolysis; Kinetics; Reaction mechanism; FTIR;