Results 11 to 20 of about 1,196,417 (299)
Reaction rate uncertainties and the operation of the NeNa and MgAl chains during HBB in intermediate-mass AGB stars [PDF]
, 2007 We test the effect of proton-capture reaction rate uncertainties on the abundances of the Ne, Na, Mg and Al isotopes processed by the NeNa and MgAl chains during hot bottom burning (HBB) in asymptotic giant branch (AGB) stars of intermediate mass between
Iliadis, C. +4 more
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MethodsX, 2023 Homochirality, the phenomenon by which one of two virtually identical (non-superimposable mirror images) compounds is favored over the other in the chemistry of life, has been regarded as a requisite for the emergence of all living things on earth ...
Elkin Cruz +2 more
doaj +1 more source
Nature Communications, 2021 Machine learning algorithms offer new possibilities for automating reaction procedures. The present paper investigates automated reaction’s prediction with Molecular Transformer, the state-of-the-art model for reaction prediction, proposing a new ...
Dávid Péter Kovács +2 more
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An infrared measurement of chemical desorption from interstellar ice analogues [PDF]
, 2018 In molecular clouds at temperatures as low as 10 K, all species except hydrogen and helium should be locked in the heterogeneous ice on dust grain surfaces. Nevertheless, astronomical observations have detected over 150 different species in the gas phase
Kouchi, A. +4 more
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Circuit Theory for Chemical Reaction Networks
Physical Review X, 2023 We lay the foundation of a circuit theory for chemical reaction networks. Chemical reactions are grouped into chemical modules solely characterized by their current-concentration characteristic—as electrical devices by their current-voltage (I-V) curve ...
Francesco Avanzini +2 more
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Suppressing Chaos for a Fractional-Order Chaotic Chemical Reaction Model via PDζ Controller
Journal of Mathematics, 2022 In this work, based on the earlier publications, we build a new fractional-order chemical reaction model. Computer simulations manifest that the fractional-order chemical reaction model presents chaotic behavior under a certain parameter condition.
Hui Wang
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Model Reduction Tools For Phenomenological Modeling of Input-Controlled Biological Circuits [PDF]
, 2020 We present a Python-based software package to automatically obtain phenomenological models of input-controlled synthetic biological circuits that guide the design using chemical reaction-level descriptive models.
Murray, Richard M., Pandey, Ayush
core
First-principles kinetic modeling in heterogeneous catalysis: an industrial perspective on best-practice, gaps and needs [PDF]
, 2012 Electronic structure calculations have emerged as a key contributor in modern heterogeneous catalysis research, though their application in chemical reaction engineering remains largely limited to academia.
Reuter, Karsten +2 more
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Journal of Cheminformatics, 2023 In recent years, it has been seen that artificial intelligence (AI) starts to bring revolutionary changes to chemical synthesis. However, the lack of suitable ways of representing chemical reactions and the scarceness of reaction data has limited the ...
Baiqing Li +8 more
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Mesoscopic modeling of stochastic reaction-diffusion kinetics in the subdiffusive regime
, 2015 Subdiffusion has been proposed as an explanation of various kinetic phenomena inside living cells. In order to fascilitate large-scale computational studies of subdiffusive chemical processes, we extend a recently suggested mesoscopic model of ...
Blanc, Emilie +3 more
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