Results 241 to 250 of about 125,081 (296)

Learning Multidimensional Electronegativity of Selected Atom Types in Organic Molecules Using Graph Neural Networks. [PDF]

ACS Omega
Han DB, Na GS, Kim HW.
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Structural, Magnetic, and Electron Spin Resonance Properties of Nickel Nanoferrites Synthesized by High-Energy Ball Milling. [PDF]

ChemistryOpen
Dlamini S, Masuku S, Ali MS, Al-Lohedan HA, Rabbani G, Kotsedi L, Mokoena T, Mahule T, Mokhena T, Hashim M, Msomi J, Nhlapo A.   +11 more
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Utility of green chemistry for spectrofluorometric and spectrophotometric analysis of vericiguat via reaction with erythrocin B. [PDF]

BMC Chem
Salem H, Abdelaziz A, Saied O, Amir M, Sadik MM, Khalid N, Mohsen N, Mazen DZ.   +7 more
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A Concise Total Synthesis of (+)-Pedrolide. [PDF]

J Am Chem Soc
Shen H, Zhou Y, Wood JL.
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Chemometric-assisted UV-Vis spectrophotometric method for the simultaneous quantification of triple anthelmintics in veterinary pharmaceuticals. [PDF]

Sci Rep
Al-Farhan BS, Eldin GMG.
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Evaluating machine learned nuclear data precision in full core nuclear reactor Monte Carlo neutronics and computational efficiency analyses. [PDF]

Sci Rep
Hashemi A, Macián-Juan R, Ohlerich M.
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Dissolving microdroplet electroanalysis enables attomolar-level detection.

Analyst
Nguyen JH, Rana A, Hatch SM, Dick JE.
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Data-Driven Tabulation for Chemistry Integration Using Recurrent Neural Networks

IEEE Transactions on Neural Networks and Learning Systems, 2023
Due to the wide range of time scales involved in the ordinary differential equations (ODEs) describing chemical reaction kinetics, multidimensional numerical simulation of chemical reactive flows using detailed combustion mechanisms is computationally expensive.
Yu Zhang, Qingguo Lin, Wenli Du, Feng Qian   +3 more
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A CSP and tabulation-based adaptive chemistry model

Combustion Theory and Modelling, 2007
We demonstrate the feasibility of a new strategy for the construction of an adaptive chemistry model that is based on an explicit integrator stabilized by an approximation of the Computational Singular Perturbation (CSP)-slow-manifold projector. We examine the effectiveness and accuracy of this technique first using a model problem with variable ...
J. C. LEE, H. N. NAJM, S. LEFANZI, J. RAY, M. FRENKLACH, VALORANI, Mauro, D. A. GOUSSIS   +6 more
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A tabulated chemistry method for heterogeneous solid propellant combustion

Proceedings of the Combustion Institute, 2021
Abstract Detailed chemistry simulations of heterogeneous solid propellant combustion at the microstructure scale are very costly as they involve large and stiff chemical schemes in the gas phase. A usual workaround is to use global chemistry to approximate gas phase reactions.
R. Mercier, L. Lacassagne, M. Plaud
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