Two classes of quasi-steady-state model reductions for stochastic kinetics [PDF]
, 2007 The quasi-steady-state approximation (QSSA) is a model reduction technique used to remove highly reactive species from deterministic models of reaction mechanisms.
Haseltine, Eric L. +2 more
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Theoretical Study of Solvent Effects on the Platinum-Catalyzed Oxygen Reduction Reaction [PDF]
, 2010 We report here density functional theory (DFT) studies (PBE) of the reaction intermediates and barriers involved in the oxygen reduction reaction (ORR) on a platinum fuel cell catalyst.
Goddard, William A., III +4 more
core +1 more source
A Unified Approach to CO2–Amine Reaction Mechanisms
ACS Omega, 2020 A unified CO2–amine reaction mechanism applicable to absorption in aqueous or nonaqueous solutions and to adsorption on immobilized amines in the presence of both dry and humid conditions is proposed.
R. B. Said +4 more
semanticscholar +1 more source
Role of direct and resonant (compound state) processes and of their interferences in the quantum dynamics of the collinear H + H2 exchange reaction [PDF]
, 1973 The question of the relative importance of compound state (i.e., activated complex) and direct reaction mechanisms has been of central importance for the dynamical foundations of chemical kinetics [1,2].
Kuppermann, Aron, Schatz, George C.
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Impact of receiver reaction mechanisms on the performance of molecular communication networks [PDF]
, 2013 In a molecular communication network, transmitters and receivers communicate by using signalling molecules. At the receivers, the signalling molecules react, via a chain of chemical reactions, to produce output molecules.
Chou, Chun Tung
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Astrophysical Rates for Explosive Nucleosynthesis: Stellar and Laboratory Rates for Exotic Nuclei [PDF]
, 2009 A selected overview of stellar effects and reaction mechanisms with relevance to the prediction of astrophysical reaction rates far off stability is provided.Comment: 4 pages, 2 figures (contining 2 subfigures each); Proceedings of 10th Intl ...
Abbondanno +24 more
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A Minireview: The Mechanism of H2O2 Photoproduction by Graphitic Carbon Nitride
Advanced Energy & Sustainability Research, 2023 Hydrogen peroxide (H2O2) is extensively used in production and life, functioning as an ecofriendly oxidant. However, the dominant method currently employed, the anthraquinone method, is not conducive to sustainable development.
Lu Sun +7 more
doaj +1 more source
Free radicals, natural antioxidants, and their reaction mechanisms
, 2015 The normal biochemical reactions in our body, increased exposure to the environment, and higher levels of dietary xenobiotic's result in the generation of reactive oxygen species (ROS) and reactive nitrogen species (RNS). The ROS and RNS create oxidative
S. B. Nimse, D. Pal
semanticscholar +1 more source
Elucidating reaction mechanisms on quantum computers [PDF]
Proceedings of the National Academy of Sciences of the United States of America, 2016 Significance Our work addresses the question of compelling killer applications for quantum computers. Although quantum chemistry is a strong candidate, the lack of details of how quantum computers can be used for specific applications makes it difficult ...
M. Reiher +4 more
semanticscholar +1 more source
Beilstein Journal of Organic Chemistry, 2013 Manufactured polymer materials are used in increasingly demanding applications, but their lifetime is strongly influenced by environmental conditions. In particular, weathering and ageing leads to dramatic changes in the properties of the polymers, which
Catrin Goeschen, Uta Wille
doaj +1 more source