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AI-EXAFS: Physics-Informed Prediction of EXAFS from Atomic Structure. [PDF]
Adv Sci (Weinh)AI‐EXAFS presents a neural network to reproduce EXAFS. Trained on synthetic data and with a careful selection of the settings both for the physical representation of the system and following the experimental heuristic loss functions, the model is capable of reproducing EXAFS spectra for molecules from the tridimensional structure.
Heras-Domingo J +6 more
europepmc +2 more sources
Inhibitory capacity of extracts and main constituents of hop flowers
Future Journal of Pharmaceutical Sciences, 2023 Background Hops (Humulus lupulus Linn.) produce flowers that are used on an industrial scale to impart sensory properties to beer and have some pharmacologic properties already published in the literature.
Francisco Mateus Gomes do Nascimento +7 more
doaj +1 more source
Ingeniería Investigación y Desarrollo, 2021 La Espectrometría de Fluorescencia de Rayos X, es una técnica que permite obtener los porcentajes de la química inorgánica presente en los carbones del flanco occidental del sinclinal Checua - Lenguazaque. Con base en los resultados obtenidos, es posible
David Alejandro Herrera Carvajal +2 more
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Innova Research Journal, 2022 Las estrategias didácticas que se aplican en el proceso de enseñanza aprendizaje son mecanismos que permiten que los estudiantes aprovechen el conocimiento impartido por el docente y demuestren dominio absoluto, más aún, en tiempos de pandemia cuando ...
Karina Isabel Lara-Carrillo +1 more
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Eclética Química, 2018 Polystyrene latex spheres were obtained by free-emulsifier polymerization of styrene. Suspension was characterized by Photon Correlation Spectroscopy (PCS) and Transmission Electron Microscopy (TEM) and were observed to be monodisperse with sizes around ...
Mateus Geraldo Schiavetto +3 more
doaj +1 more source
Influence of the pH in the stability of the silver coacervate by vitreous precursors
Eclética Química, 2018 In this work, using coacervation process, the influence of the pH in the stability of the coacervates of the NaPO3/AgNO3/H2O system was studied. The coacervate domain was established using different concentrations of NaPO3 and AgNO3 and the influence of ...
Bianca Montanari +4 more
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Eclética Química, 2018 Este trabalho contempla a síntese e caracterização espectroscópica de dois compostos carbonílicos heterometálicos do tipo [Fe(CO) 3 (m-CS 2 )(PPh 3 )(CuX)], X = Cl, ClO 4 .
Teresa Kazuko Muraoka +5 more
doaj +1 more source
Cp2TiCl is a useful reagent to teach multidisciplinary chemistry
Educación Química, 2021 Cp2TiCl es un único reactivo de transferencia de electrones que ha contribuido en varios campos del conocimiento científico, como la química orgánica, inorgánica, ecológica y analítica.
Antonio Rosales Martínez
doaj +1 more source
Gallium-doped zinc oxide prepared by the Pechini method
Eclética Química, 2018 Gallium-doped zinc oxide (ZnO:Ga) was prepared by the Pechini method from zinc citrate and gallium hydroxide. By this method, it is possible to synthesize crystalline ZnO:Ga by firing the polymeric precursor in air at 900ºC for four hours.
Agnaldo de Souza Gonçalves +2 more
doaj +1 more source
Eclética Química, 2018 Ciclopaladados diméricos do tipo [Pd(dmba)(m-X)] 2 (dmba = N,N-dimetilbenzilamina; X = Cl, N 3 , NCO) reagem com tiouréia (tu), à temperatura ambiente, resultando espécies mononucleares do tipo [Pd(dmba)(X)(tu)].
A. C. Moro, A. E. Mauro, S. R. Ananias
doaj +1 more source