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Reaction Mechanism
In reversible reactions, the rates of the reverse and forward reaction are equal at equilibrium, the law of mass action can thus be derived...
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Theoretical investigations of the reaction mechanism and kinetic for the reaction between mercury and hydrogen fluoride
To understand the detailed reaction kinetics and mechanism of the reaction between Hg and HF, theoretical investigations of their reactions at...
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Reaction Mechanism of Actin ATP Hydrolysis Studied by QM/MM Calculations
Actin fibers are an important part of the cytoskeleton, providing vital support for the plasma membrane. This function is driven by its ATPase (ATP:...
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The reaction mechanism of the Ideonella sakaiensis PETase enzyme
Polyethylene terephthalate (PET), the most abundantly produced polyester plastic, can be depolymerized by the Ideonella sakaiensis PETase enzyme....
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Facilitated Transport Membranes (FTMs) Gas Transport Models and Reaction Mechanism
The remarkable CO2 capture capability of the facilitated transport membranes (FTMs) has captivated both academia and the commercial sectors, which...
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Thermal decomposition of hydrophobic silica aerogels: kinetics and reaction mechanism
Silica aerogels have been widely used in buildings and pipes due to their excellent thermal insulation properties. Given the extreme hazards (fire,...
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Study on Maillard reaction mechanism by quantum chemistry calculation
ContextThe Maillard reaction is a high-temperature reaction of amino acids and carbohydrates to produce macromolecular substances such as melanoidins...
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Modeling Reaction Mechanism of Cocaine Hydrolysis and Rational Drug Design for Therapeutic Treatment of Cocaine Abuse
Cocaine is a widely abused heterocyclic drug and there is no available anti-cocaine therapeutic. The disastrous medical and social consequences of...
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Kinetics, Mechanism, and Reactivity of Intermediates of the Cerium(IV)–Oxalate Reaction in a Sulfate Medium
AbstractThe work presents an approach for studying the kinetics, mechanism, and reactivity of intermediates of a wide class of redox reactions for...
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Study of reaction mechanism of titanium powder with different particle sizes based on thermal analysis
The reaction kinetic characteristics of two different particle sizes of titanium powder under different heating rates are studied by the synchronous...
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Thermal hazard and reaction mechanism for the preparation of epoxidized soybean oil from hydrogen peroxide
Epoxidized soybean oil (ESO) is a sustainable alternative that reduces emissions of volatile organic compounds, enhances coating and adhesion...
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The Initiation Mechanism of the Isoolefin Oligomerization Reaction in the Presence of Ethylaluminum Dichloride–Protonodonor Complex Catalysts
AbstractThe mechanism of the initiation of isoolefins in the presence of ethylaluminum dichloride–proton donor (water, phenol, hydrochloric acid)...
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Analysis of the initial reaction mechanism of TKX-50 based on Raman intensity
ContextDihydroxylammonium 5,5’-biotetrazolium-1,1’-diolate (TKX-50) has two important properties of typical azole energy-containing ionic salts,...
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Digging on the mechanism of some Diels–Alder reactions: the role of the reaction electronic flux
Within the framework of the reaction force analysis, numerical data obtained from DFT calculations were used to characterize the mechanism of three...
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Apparent synthesis reaction kinetics and decomposition reaction mechanism of [(5,6-dimethyl dicarboxylate-3-pyridine) methyl]-trimethylammonium bromide
This study describes the apparent thermodynamics and reaction kinetics of the synthesis of [(5,6-dimethyl dicarboxylate-3-pyridine) methyl]-trimethyl...
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The solvent-regulated excited state reaction mechanism of 2-(2′-hydroxyphenyl)benzothiazole aggregates
The excited state relaxation dynamics of 2-(2′-hydroxyphenyl)benzothiazole (HBT) in the gas phase and the solvents have been explored experimentally...
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Elucidating the reaction mechanism of a palladium-palladium dual catalytic process through kinetic studies of proposed elementary steps
In the synergistic dual catalytic process, the kinetics of the catalytic cycles must be balanced for the successful outcome of the reaction....
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Solid-State Reaction and Formation Mechanism in the Process of LiMeO2 Synthesis
Based on the precursors prepared by co-deposition of nitrate with Na(OH)2 or Na2CO3 adjusted pH value, the decomposition products of precursors at...
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Dynamic investigation of oxygen defects on transition metal-based electrocatalysts: formation, characterization, and mechanism during alkaline oxygen evolution reaction
Oxygen defects play a critical role in the electrocatalytic oxygen evolution reaction (OER). Therefore, in-depth understanding the...
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Explaining the selectivities and the mechanism of [3+2] cycloloaddition reaction between isoalantolactone and diazocyclopropane
Context[3+2] cycloaddition processes between isoalantolactone ( ISALL ) and diazocyclopropane ( DCYP ), have been surveyed exercising the MEDT,...
