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Listar por autor "Merkling, Patrick J."
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Artículo
Combination of XANES spectroscopy and molecular dynamics to probe the local structure in disordered systems
Merkling, Patrick J.; Muñoz Páez, Adela; Rodríguez Pappalardo, Rafael; Sánchez Marcos, Enrique (American Physical Society, 2001)Individual configurations obtained from molecular dynamics have been combined with the computation of x-ray absorption ...
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Interplay of computer simulations and x-ray absorption spectra in the study of the bromide hydration structure
Merkling, Patrick J.; Ayala Espinar, Regla; Martínez Fernández, José Manuel; Rodríguez Pappalardo, Rafael; Sánchez Marcos, Enrique (American Institute of Physics Publising LLC, 2003)X-ray absorption spectra (EXAFS and XANES) were generated from snapshots of a Monte Carlo (MC) simulation of a bromide ion ...
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Molecular-dynamics-based investigation of scattering path contributions to the EXAFS spectrum: The Cr3¿ aqueous solution case
Merkling, Patrick J.; Muñoz Páez, Adela; Martínez Fernández, José Manuel; Rodríguez Pappalardo, Rafael; Sánchez Marcos, Enrique (American Physical Society, 2001)Extended x-ray absorption fine structure spectra were computed based on molecular-dynamics (MD) struc- tural data of a [ ...
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Solvent-assisted in situ synthesis of cysteamine-capped silver nanoparticles
Sayagués de Vega, María Jesús; Ríos de la Rosa, Julio; Oliva, José María; Sánchez Alcázar, José Antonio; Merkling, Patrick J. (IOP Publishing, 2018)Silver nanoparticles offer a huge potential for biomedical applications owing to their exceptional properties and small ...
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Artículo
The hydration of Cu2+: Can the Jahn-Teller effect be detected in liquid solution?
Chaboy Nalda, Jesús; Muñoz Páez, Adela; Merkling, Patrick J.; Sánchez Marcos, Enrique (American Institute of Physics Publising LLC, 2006)The long elusive structure of Cu(II) hydrate in aqueous solutions, classically described as a Jahn-Teller distorted ...