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Browsing Química Física by Author "Torrico Perdomo, Francisco Miguel"
Now showing items 1-3 of 3
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Article
A general study of actinyl hydration by molecular dynamics simulations using ab initio force fields
Pérez Conesa, Sergio; Torrico Perdomo, Francisco Miguel; Martínez Fernández, José Manuel; Rodríguez Pappalardo, Rafael; Sánchez Marcos, Enrique (AIP Publishing, 2019-03)A set of new ab initio force fields for aqueous [AnO2] 2+/+ (An = Np(VI,V), Pu(VI), Am(VI)) has been developed using the ...
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Article
A hydrated ion model of [UO2]2+ in water: Structure, dynamics, and spectroscopy from classical molecular dynamics
Pérez Conesa, Sergio; Torrico Perdomo, Francisco Miguel; Martínez Fernández, José Manuel; Rodríguez Pappalardo, Rafael; Sánchez Marcos, Enrique (AIP Publishing, 2016-12)A new ab initio interaction potential based on the hydrated ion concept has been developed to obtain the structure, ...
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PhD Thesis
Estudio cuántico-estadístico de la hidratación de cationes pesados
Torrico Perdomo, Francisco Miguel (2005)Los estudios realizados en esta tesis se apoyan sobre modelos teóricos que a lo largo de los próximos capítulos se irán ...