Results 11 to 20 of about 1,729,497 (317)
Is EC class predictable from reaction mechanism?
BMC Bioinformatics, 2012 Background We investigate the relationships between the EC (Enzyme Commission) class, the associated chemical reaction, and the reaction mechanism by building predictive models using Support Vector Machine (SVM), Random Forest (RF) and k-Nearest ...
Nath Neetika, Mitchell John BO
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Analysis of phase trajectories for studying the operational evolution of catalytic systems
Тонкие химические технологии, 2023 Objectives. To establish details of catalytic systems operation using the kinetic method with no needs for the differentiation of primary experimental kinetic data.Methods. Analysis of the time patterns of differential selectivity and relative reactivity
A. F. Schmidt +3 more
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Qualitative Analysis Based Reaction Mechanism Identification
Chemical Engineering Transactions, 2013 One of the most important tasks during the design process of a chemical technology is the engineering design of the conversion subsystem based on the aspect of optimal and safe operation.
T. Varga
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Robust Mechanism Discovery with Atom Conserving Chemical Reaction Neural Networks
, 2023 Chemical reaction neural networks (CRNNs) established as the state-of-the-art tool for autonomous mechanism discovery. While they encode some fundamental physical laws, mass- and atom conservation are still violated.
Felix, Döppel, Martin, Votsmeier
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Modeling of the RAG Reaction Mechanism
Cell Reports, 2014 Summary: In vertebrate V(D)J recombination, it remains unclear how the RAG complex coordinates its catalytic steps with binding to two distant recombination sites.
Amjad Askary +3 more
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Kinetics and mechanism of the reaction of acetonyl radical, CH3(CO)CH2, with Br2 [PDF]
, 2013 The low pressure fast discharge flow method with laser induced fluorescence detection of CH3C(O)CH2 was employed to study the kinetics of the reaction CH3C(O)CH2 + Br2 → CH3C(O)CH2Br + Br (1) at 298, 323 and 365 K.
Zügner, Gábor L. +6 more
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Understanding the reaction mechanism of Kolbe electrolysis on Pt anodes
, 2021 Kolbe electrolysis has been proposed an efficient electrooxidation process to synthesize (un)symmetrical dimers from biomass-based carboxylic acids. However, the reaction mechanism of Kolbe electrolysis remains controversial.
Karen, Chan +3 more
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Mechanisms of metasomatic reactions [PDF]
Mineralogy and Petrology, 2009 Fluid-aided mass transfer and subsequent mineralre-equilibrationarethetwodefiningfeaturesofmetasomatismand must be present in order for metamorphism to occur.Taking into account geological time scales, the amount offluidrequiredneednotbegreat(considerablylessthan0.01%of the total volume) nor even in continuous flow but the fluidmust be chemically ...
Harlov, D., Marschall, H.
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Oxygen electrochemistry in Li‐O2 batteries probed by in situ surface‐enhanced Raman spectroscopy
SusMat, 2021 Surface‐enhanced Raman spectroscopy (SERS), as a nondestructive and ultra‐sensitive single molecular level characterization technique, is a powerful tool to deeply understand the interfacial electrochemistry reaction mechanism involved in energy ...
Jiawei Wang +5 more
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Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation
, 2020 In chemical kinetics research, kinetic models containing hundreds of species and tens of thousands of elementary reactions are commonly used to understand and predict the behavior of reactive chemical systems.
William H., Green +13 more
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