Relevant bibliographies by topics / Mechanism of reaction

Contents

  1. Journal articles
  2. Dissertations / Theses
  3. Books
  4. Book chapters
  5. Conference papers
  6. Reports

Academic literature on the topic 'Mechanism of reaction'

Author: Grafiati
Published: 30 May 2022
Last updated: 30 July 2025

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Journal articles on the topic "Mechanism of reaction"

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Bucher-Nurminen, Kurt. "Reaction veins in marbles formed by a fracture-reaction-seal mechanism." European Journal of Mineralogy 1, no. 5 (1989): 701–14. http://dx.doi.org/10.1127/ejm/1/5/0701.

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P Jani, Krupa. "Photosensitized Reaction of Quinaldine: Kinetics and Mechanism." International Journal of Scientific Engineering and Research 2, no. 3 (2014): 24–29. https://doi.org/10.70729/j2013151.

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Shentu, Jiangtao, Yanrong Lu, Yiwei Li, Juanqin Li, Yebing Mao, and Xiangyuan Li. "Compact Combustion Mechanisms of Typical n-Alkanes Developed by the Minimized Reaction Network Method." Molecules 28, no. 23 (2023): 7695. http://dx.doi.org/10.3390/molecules28237695.

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The existing combustion kinetic modeling method which aims at developing phenomenological combustion mechanisms characterized by multiple reactions confronts several challenges, including the conflicts between computing resources and mechanism scales during numerical simulation, etc. In order to address these issues, the minimized reaction network method for complex combustion system modeling based on the principle of simultaneous chemical equilibrium is proposed, which is aimed to develop combustion mechanisms with minimal reaction steps under a limited number of species. The concept of mecha
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Wang, Zhi-Xiang, Ming-Bao Huang. та Ruo-Zhuang Liu. "Theoretical study on the insertion reaction of CH(X2Π) with CH4". Canadian Journal of Chemistry 75, № 7 (1997): 996–1001. http://dx.doi.org/10.1139/v97-119.

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The CH + CH4 reaction has been studied by means of ab initio molecular orbital calculations incorporating electron correlation with Møller–Plesset perturbation theory up to second and fourth orders with the 6-31G(d,p) and 6-311++G(2d,p) basis sets. An energetically feasible insertion reaction path has been found in the potential energy surface that confirms the experimental proposal for the mechanism of the CH + CH4 reaction. The feature of the mechanism for the CH + CH4 insertion reaction is found to be different from the feature of the mechanisms for the CH + NH3, CH + H2O, and CH + HF inser
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Dayal, Akash, Manish Shrivastava, Rajiv Upadhyaya, and Lakhbir Singh Brar. "Numerical Combustion Evaluation of Select Detailed Chemistry Mechanisms for Their Impact on Compression Ignition Diesel Engine Performance Prediction." Advanced Science, Engineering and Medicine 12, no. 8 (2020): 1072–76. http://dx.doi.org/10.1166/asem.2020.2670.

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The study focuses on the selection of detailed chemistry model for numerical combustion of compression ignition diesel engine. Three different established chemical reaction mechanisms of different chemistry resolution are considered to predict the macro performance characteristics. The numerical computation is performed on turbocharged 5.67L 130PS commercial vehicle diesel engine. The three chemical reactions mechanisms are used for engine performance prediction analysis viz. PSM Mechanism (having 121 species and 593 reactions), ERC Mech reaction mechanism model (having 61 species with 235 rea
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Croce, A. E. "First-order parallel and consecutive reaction mechanisms — Isosbestic points criterium." Canadian Journal of Chemistry 86, no. 9 (2008): 918–24. http://dx.doi.org/10.1139/v08-098.

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A criterium for the selection of reaction mechanism derived from a condition for isosbestic points occurrence is presented. Analytical relationships involving the molar absorption coefficients of the species, which participate in a mechanism of parallel first-order reactions and the corresponding rate coefficients, are also reported. A model system of four species that present overlapping absorption spectra may correspond to the reactant and products of a system of parallel or consecutive first-order reactions. In the first case, under experimental conditions in which the absorbances are addit
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Long, Fengqin, Zheng Chen, Keli Han, Lu Zhang, and Wei Zhuang. "Differentiation between Enamines and Tautomerizable Imines Oxidation Reaction Mechanism using Electron-Vibration-Vibration Two Dimensional Infrared Spectroscopy." Molecules 24, no. 5 (2019): 869. http://dx.doi.org/10.3390/molecules24050869.

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Intermediates lie at the center of chemical reaction mechanisms. However, detecting intermediates in an organic reaction and understanding its role in reaction mechanisms remains a big challenge. In this paper, we used the theoretical calculations to explore the potential of the electron-vibration-vibration two-dimensional infrared (EVV-2DIR) spectroscopy in detecting the intermediates in the oxidation reactions of enamines and tautomerizable imines with 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO). We show that while it is difficult to identify the intermediates from their infrared and Raman
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Koča, Jaroslav, Milan Kratochvíl, and Vladimír Kvasnička. "Reaction mechanism graphs." Collection of Czechoslovak Chemical Communications 50, no. 7 (1985): 1433–49. http://dx.doi.org/10.1135/cccc19851433.

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The concept of reaction mechanism graphs has been introduced. These graphs describe the decomposition of an arbitrary organic reaction into its most elementary mechanistic steps representing heterolytic or homolytic dissociation and association processes, etc.. A clustering method of reaction mechanism graphs with the same number of elementary steps is specified. The suggested formalism was successfully used in our preliminary computer analysis of reaction mechanism.
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Schwarz, K., C. Samanta, M. Fujiwara, et al. "Reaction mechanism of." European Physical Journal A 7, no. 3 (2000): 367. http://dx.doi.org/10.1007/s100500050404.

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Dmitrieva, A., and A. Stepacheva. "Friedel-Krafts alkylation." Bulletin of Science and Practice, no. 8 (August 15, 2017): 43–48. https://doi.org/10.5281/zenodo.842942.

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The mechanism of the reaction of alkylation of aromatic compounds according to Friedel–Crafts is considered. Unlike the acylation reaction, alkylation is a reversible process. The general principle of the reaction is the intermediate formation of carbenium ions capable of reacting as an electrophile in the aromatic reactions of electrophilic substitution. It is established that the mechanism of this reaction is ensured by the detection of the σ–complex at low temperatures. The possibility of using the intramolecular variant of Friedel–Crafts alkylation is considered; li
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Dissertations / Theses on the topic "Mechanism of reaction"

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Gao, Connie W. (Connie Wu). "Automatic reaction mechanism generation :." Thesis, Massachusetts Institute of Technology, 2016. http://hdl.handle.net/1721.1/104205.

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Thesis: Ph. D., Massachusetts Institute of Technology, Department of Chemical Engineering, 2016.<br>Cataloged from PDF version of thesis.<br>Includes bibliographical references.<br>Growing awareness of climate change and the risks associated with our society's dependence on fossil fuels has motivated global initiatives to develop economically viable, renewable energy sources. However, the transportation sector remains a major hurdle. Although electric vehicles are becoming more mainstream, the transportation sector is expected to continue relying heavily on combustion engines, particularly in
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Qin, Zhiwei. "Reaction mechanism of propane oxidation /." Digital version accessible at:, 1998. http://wwwlib.umi.com/cr/utexas/main.

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Brody, Michael S. "The reaction mechanism of Sulfite Oxidase /." The Ohio State University, 1998. http://rave.ohiolink.edu/etdc/view?acc_num=osu1487952208109182.

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Ribeiro, Joao Marcelo Lamim. "Kinetics and Reaction Mechanisms for Methylidyne Radical Reactions with Small Hydrocarbons." FIU Digital Commons, 2016. http://digitalcommons.fiu.edu/etd/3023.

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The chemical evolution with respect to time of complex macroscopic mixtures such as interstellar clouds and Titan’s atmosphere is governed via a mutual competition between thousands of simultaneous processes, including thousands of chemical reactions. Chemical kinetic modeling, which attempts to understand their macroscopic observables as well as their overall reaction mechanism through a detailed understanding of their microscopic reactions and processes, thus require thousands of rate coefficients and product distributions. At present, however, just a small fraction of these have been well-s
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Choi, Eun-Young. "Studies on the reaction mechanism of the reductive half-reaction of Xanthine Oxidase /." The Ohio State University, 2000. http://rave.ohiolink.edu/etdc/view?acc_num=osu148819366523445.

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Liu, Yinghao. "Organocatalyzed Morita-Baylis-Hillman Reaction: Mechanism and Catalysis." Diss., lmu, 2011. http://nbn-resolving.de/urn:nbn:de:bvb:19-125470.

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Balasubramanian, Shankar. "Studies on the reaction mechanism of chorismate synthase." Thesis, University of Cambridge, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.386780.

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Perruccio, Francesca. "Molecular modelling of the citrate synthase reaction mechanism." Thesis, University of Bristol, 2002. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.268775.

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Markovi, Z., JP Engelbrecht, and S. Markovi. "Theoretical Study of the Kolbe-Schmitt Reaction Mechanism." A Journal of Chemical Sciences, 2002. http://encore.tut.ac.za/iii/cpro/DigitalItemViewPage.external?sp=1002008.

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Abstract A theoretical study of the Kolbe-Schmitt reaction mechanism, performed using a DFT method, reveals that the reaction between sodium phenoxide and carbon dioxide proceedswith the formation of three transition states and three intermediates. In the first step of the reaction, a polarized ONa bond of sodium phenoxide is attacked by the carbon dioxide molecule, and the intermediate NaPh-CO2 complex is formed. In the next step of the reaction the electrophilic carbon atom attacks the ring primarily at the ortho position, thus forming two new intermediates. The final product, sodium salicyl
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Prehl, Janett, and Constantin Huster. "Morphology on Reaction Mechanism Dependency for Twin Polymerization." MDPI, 2019. https://monarch.qucosa.de/id/qucosa%3A34346.

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An in-depth knowledge of the structure formation process and the resulting dependency of the morphology on the reaction mechanism is a key requirement in order to design application-oriented materials. For twin polymerization, the basic idea of the reaction process is established, and important structural properties of the final nanoporous hybrid materials are known. However, the effects of changing the reaction mechanism parameters on the final morphology is still an open issue. In this work, the dependence of the morphology on the reaction mechanism is investigated based on a previously intr
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Books on the topic "Mechanism of reaction"

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Halevi, E. Amitai, ed. Orbital Symmetry and Reaction Mechanism. Springer Berlin Heidelberg, 1992. http://dx.doi.org/10.1007/978-3-642-83568-1.

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Arve, Kalle. Catalytic diesel exhaust aftertreatment: From reaction mechanism to reactor design. Åbo Akademis förlag, 2005.

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Michael, Mortimer, Taylor Peter, Royal Society of Chemistry (Great Britain), and Open University, eds. Chemical kinetics and mechanism. Royal Society of Chemistry, 2002.

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P, Kundu Krishna, Acosta Waldo A, United States. National Aeronautics and Space Administration., and United States. Army Aviation Systems Command., eds. Jet-A reaction mechanism study for combustion application. National Aeronautics and Space Administration, 1991.

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P, Kundu Krishna, Acosta Waldo A, United States. National Aeronautics and Space Administration., and United States. Army Aviation Systems Command., eds. Jet-A reaction mechanism study for combustion application. National Aeronautics and Space Administration, 1991.

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Halevi, E. Amitai. Orbital symmetry and reaction mechanism: The OCAMS view. Springer-Verlag, 1992.

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Ke, Yuanyuan, Jing Li, and Yifu Wang. Analysis of Reaction-Diffusion Models with the Taxis Mechanism. Springer Nature Singapore, 2022. http://dx.doi.org/10.1007/978-981-19-3763-7.

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Bittker, David A. Detailed mechanism for oxidation of benzene. National Aeronautics and Space Administration, 1990.

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Grzybowski, Bartosz A. Chemistry in motion: Reaction-diffusion systems for micro- and nanotechnology. Wiley, 2009.

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Gao, Ying. Investigations on the mechanism of the Belousov-Zhabotinsky oscillating reaction. Cuvillier Verlag, 1994.

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Book chapters on the topic "Mechanism of reaction"

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Lauth, Jakob SciFox. "Reaction Mechanism." In Physical Chemistry in a Nutshell. Springer Berlin Heidelberg, 2023. http://dx.doi.org/10.1007/978-3-662-67637-0_10.

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Kyte, Jack. "Reaction Mechanisms." In Mechanism in Protein Chemistry. Garland Science, 2024. http://dx.doi.org/10.1201/9781003573456-1.

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Minges, Mary V., Claire J. Starrs, and J. Christopher Perry. "Reaction Formation (Defense Mechanism)." In Encyclopedia of Personality and Individual Differences. Springer International Publishing, 2020. http://dx.doi.org/10.1007/978-3-319-24612-3_1420.

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Saha, Goutam Kumar. "Mechanism of Allergic Reaction." In Dust Allergy: Cause & Concern. Springer Singapore, 2016. http://dx.doi.org/10.1007/978-981-10-1825-1_4.

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Minges, Mary V., Claire J. Starrs, and J. Christopher Perry. "Reaction Formation (Defense Mechanism)." In Encyclopedia of Personality and Individual Differences. Springer International Publishing, 2017. http://dx.doi.org/10.1007/978-3-319-28099-8_1420-1.

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García Melchor, Max. "The Negishi Reaction Mechanism." In A Theoretical Study of Pd-Catalyzed C-C Cross-Coupling Reactions. Springer International Publishing, 2013. http://dx.doi.org/10.1007/978-3-319-01490-6_4.

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Yang, Ruixin, Chun Wang, and Zonglin Jiang. "Genetic Algorithm Applied in Optimizing Reaction Mechanism Based on Reduced Reaction Mechanism." In Advances in Natural Computation, Fuzzy Systems and Knowledge Discovery. Springer International Publishing, 2021. http://dx.doi.org/10.1007/978-3-030-70665-4_196.

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Brown, J. B. "Mechanism of the Kober Reaction." In Ciba Foundation Symposium - Estimation of Steroid Hormones (Book I of Colloquia on Endocrinology, Vol. 2). John Wiley & Sons, Ltd., 2008. http://dx.doi.org/10.1002/9780470718773.ch12.

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Zhao, Zuzhen, and Pei Kang Shen. "Mechanism of Oxygen Reduction Reaction." In Electrochemical Oxygen Reduction. Springer Singapore, 2021. http://dx.doi.org/10.1007/978-981-33-6077-8_2.

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Grossman, Robert B. "Mixed-Mechanism Problems." In The Art of Writing Reasonable Organic Reaction Mechanisms. Springer New York, 1999. http://dx.doi.org/10.1007/978-1-4757-3030-2_7.

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Conference papers on the topic "Mechanism of reaction"

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Deshmukh, Shrirang, Bruce Brown, and David Young. "Investigating the Mechanism and Intermediates of the Oxygen Reduction Reaction." In CONFERENCE 2025. AMPP, 2025. https://doi.org/10.5006/c2025-00534.

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Abstract The Oxygen Reduction Reaction (ORR) plays a crucial role in corrosion mechanisms and the operation of electrochemical energy devices, affecting both stability and efficiency. Despite extensive research, the exact mechanisms and intermediates involved in ORR continue to be subjects of study. The literature reports a range of intermediates and mechanisms, which can be complex and, at times, contradictory. This paper conducts a comprehensive literature review with a primary focus on ORR mechanisms on steel, while also examining platinum, gold, and carbon electrodes. Recent advancements i
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Regan, P. H. "Nuclear Structure and Reaction Mechanism Studies with Multinucleon Reactions." In FUSION06: Reaction Mechanisms and Nuclear Structure at the Coulomb Barrier. AIP, 2006. http://dx.doi.org/10.1063/1.2338389.

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Toriumi, Minoru, Koji Kaneyama, and Toshiro Itani. "Reaction mechanism of EUV resists." In 2007 Digest of papers Microprocesses and Nanotechnology. IEEE, 2007. http://dx.doi.org/10.1109/imnc.2007.4456082.

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Gokulakrishnan, P., S. Kwon, A. J. Hamer, M. S. Klassen, and R. J. Roby. "Reduced Kinetic Mechanism for Reactive Flow Simulation of Syngas/Methane Combustion at Gas Turbine Conditions." In ASME Turbo Expo 2006: Power for Land, Sea, and Air. ASMEDC, 2006. http://dx.doi.org/10.1115/gt2006-90573.

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The reduced kinetic mechanism for syngas/methane developed in the present work consists of a global reaction step for fuel decomposition in which the fuel molecule breaks down into CH2O and H2. A detailed CH2O/H2/O2 elementary reaction sub-set is included as the formation of intermediate combustion radicals such as OH, H, O, HO2, and H2O2 is essential for accurate predictions of non-equilibrium phenomena such as ignition and extinction. Since the chemical kinetics of H2 and CH2O are the fundamental building blocks of any hydrocarbon oxidation, the inclusion of detailed kinetic mechanisms for C
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Elliott, L., D. B. Ingham, A. G. Kyne, N. S. Mera, M. Pourkashanian, and C. W. Wilson. "A Novel Approach to Mechanism Reduction Optimisation for Aviation Fuel/Air Reaction Mechanism Using a Genetic Algorithm." In ASME Turbo Expo 2004: Power for Land, Sea, and Air. ASMEDC, 2004. http://dx.doi.org/10.1115/gt2004-53053.

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This study presents the use of a genetic algorithm to produce a new reduced chemical kinetic reaction mechanism to simulate aviation fuel combustion under various operating conditions. The mechanism is used to predict the flame structure of a aviation fuel/O2/N2 flame in both spatially homogeneous and one-dimensional premixed combustion. Complex hydrocarbon fuels, such as aviation fuel, involve large numbers of reaction steps with many species. As all the reaction rate data is not well known, there is a high degree of uncertainty in the results obtained using these large detailed reaction mech
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Yavor, Yinon. "Aluminum-Water Reaction Mechanism - Modeling of the Different Reaction Stages." In 14th International Energy Conversion Engineering Conference. American Institute of Aeronautics and Astronautics, 2016. http://dx.doi.org/10.2514/6.2016-5021.

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Naik, Chitralkumar V., Karthik V. Puduppakkam, and Ellen Meeks. "An Improved Core Reaction Mechanism for Saturated C0–C4 Fuels." In ASME 2011 Turbo Expo: Turbine Technical Conference and Exposition. ASMEDC, 2011. http://dx.doi.org/10.1115/gt2011-46705.

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Accurate chemistry models are required to predict the combustion behavior of different fuels, such as synthetic gaseous fuels and liquid jet fuels. A detailed reaction mechanism contains chemistry for all the molecular components in the fuel or its surrogates. Validation studies that compare model predictions with the data from fundamental combustion experiments under well defined conditions. Such fundamental experiments are least affected by the effect of transport on chemistry. Therefore they are the most reliable means for determining a reaction mechanism’s predictive capabilities. Followin
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Geulig, Laura Desiree, Erin Grace Fitzpatrick, Maximilian Julius Weiser, et al. "Towards the fission-fusion reaction mechanism." In Applying Laser-driven Particle Acceleration III: Uses of Distinctive Energetic Particle and Photon Sources, edited by Paul R. Bolton and Jörg Schreiber. SPIE, 2023. http://dx.doi.org/10.1117/12.2665682.

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Chandler, David, John N. Gehlen, and Massimo Marchi. "On the mechanism of the primary charge transfer in photosynthesis." In Ultrafast reaction dynamics and solvent effects. AIP, 1994. http://dx.doi.org/10.1063/1.45411.

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Zhang, Xianyi, Runyu Wang, Shuxin Ji, Yuze Sun, and Xiaofei Zhao. "To explore the mechanism of dizziness reaction from the paradoxical reaction." In 4TH INTERNATIONAL CONFERENCE ON FRONTIERS OF BIOLOGICAL SCIENCES AND ENGINEERING (FBSE 2021). AIP Publishing, 2022. http://dx.doi.org/10.1063/5.0094265.

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Reports on the topic "Mechanism of reaction"

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Schulze, Roland K. Uranium-hydrogen reaction mechanism and numerical model. Office of Scientific and Technical Information (OSTI), 2020. http://dx.doi.org/10.2172/1617331.

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Nelson Butuk. Mathematically Reduced Chemical Reaction Mechanism Using Neural Networks. Office of Scientific and Technical Information (OSTI), 2006. http://dx.doi.org/10.2172/902508.

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Nelson Butuk. Mathematically Reduced Chemical Reaction Mechanism Using Neural Networks. Office of Scientific and Technical Information (OSTI), 2004. http://dx.doi.org/10.2172/881862.

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Ziaul Huque. Mathematically Reduced Chemical Reaction Mechanism Using Neural Networks. Office of Scientific and Technical Information (OSTI), 2007. http://dx.doi.org/10.2172/947008.

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Nelson Butuk. Mathematically Reduced Chemical Reaction Mechanism Using Neural Networks. Office of Scientific and Technical Information (OSTI), 2005. http://dx.doi.org/10.2172/875887.

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Hartman, F. C. Rubisco Mechanism: Dissection of the Enolization Partial Reaction. Final Report. Office of Scientific and Technical Information (OSTI), 2003. http://dx.doi.org/10.2172/824531.

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Rice, Betsy M., William Mattson, John Grosh, and S. F. Trevino. A Molecular Dynamics Study of Detonation. 2. The Reaction Mechanism. Defense Technical Information Center, 1996. http://dx.doi.org/10.21236/ada305237.

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Longfellow, C. A. Reaction mechanism studies of unsaturated molecules using photofragment translational spectroscopy. Office of Scientific and Technical Information (OSTI), 1996. http://dx.doi.org/10.2172/266645.

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Egeln, Anthony, Ryan Houim, and John Hewson. A Reaction Mechanism for Carbon Soot in Post-Detonation Flows. Office of Scientific and Technical Information (OSTI), 2023. http://dx.doi.org/10.2172/2430321.

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Mignerey, A. C. [Reaction mechanism studies of heavy ion induced nuclear reactions]. Annual progress report, [January 1992--February 1993]. Office of Scientific and Technical Information (OSTI), 1993. http://dx.doi.org/10.2172/10135206.

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