Results 11 to 20 of about 1,192,792 (179)

A Comparison of Bimolecular Reaction Models for Stochastic Reaction Diffusion Systems [PDF]

, 2013
Stochastic reaction-diffusion models have become an important tool in studying how both noise in the chemical reaction process and the spatial movement of molecules influences the behavior of biological systems. There are two primary spatially-continuous
Agbanusi, Ikemefuna C., Isaacson, Samuel A.   +1 more
core   +1 more source

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., Izzard, R. G., Karakas, A. I., Lugaro, M., van Raai, M.   +4 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., Lamberts, T., Oba, Y., Tomaru, T., Watanabe, N.   +4 more
core   +3 more sources

Linear stability analysis of chemical mechanism, Listanalchem: A tool for the search of spontaneous mirror symmetry breaking

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, Andrés Montoya, Jesús Ágreda   +2 more
doaj   +1 more source

Sensitivity analyses of dense cloud chemical models [PDF]

, 2010
Because of new telescopes that will dramatically improve our knowledge of the interstellar medium, chemical models will have to be used to simulate the chemistry of many regions with diverse properties.
Bergin, Cardelli, Caselli, Dickens, E. Herbst, F. Hersant, F. Selsis, Flower, Graedel, Hassel, Indriolo, J. Le Bourlot, Le Bourlot, Le Petit, Lee, Lee, Lepp, McCall, Meyer, Osterbrock, Padovani, Ruffle, S. Guilloteau, Savage, Shalabiea, Spitzer, V. Wakelam, Vasyunin, Vasyunin, Wakelam, Wakelam, Wakelam, Wakelam, Walsh, Webber, Wootten   +35 more
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Quantitative interpretation explains machine learning models for chemical reaction prediction and uncovers bias

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, William McCorkindale, Alpha A. Lee   +2 more
doaj   +1 more source

Pattern formation in reaction diffusion models with spatially inhomogeneous diffusion coefficients [PDF]

, 1992
Reaction-diffusion models for biological pattern formation have been studied extensively in a variety of embryonic and ecological contexts. However, despite experimental evidence pointing to the existence of spatial inhomogeneities in various biological ...
Benson, D. L., Maini, P. K., Sherratt, J. A.   +2 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, Nahuel Freitas, Massimiliano Esposito   +2 more
doaj   +1 more source

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
doaj   +1 more source

A deep learning framework for accurate reaction prediction and its application on high-throughput experimentation data

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, Shimin Su, Chan Zhu, Jie Lin, Xinyue Hu, Lebin Su, Zhunzhun Yu, Kuangbiao Liao, Hongming Chen   +8 more
doaj   +1 more source