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About diffusion in porous medium: the role of the correlation length
current transient electrochemical crystallization reaction diffusion kinetics porous systems
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2012/5/29
In this paper we develop a model to describe the diffusion process in a porous medium. For the observed decrease in current yield, we propose other causes than difference in diffusivity, which we cons...
Role of quantum nuclei and local fields in the x-ray absorption spectra of water and ice
Role of quantum nuclei local fields the x-ray absorption spectra of water and ice Chemical Physics
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2012/4/19
We calculate the x-ray absorption spectra of liquid water at ambient conditions and of hexagonal ice close to melting, using a static GW approach that includes approximately local field effects. Quant...
On the role of dynamical barriers in barrierless-reactions at low energies: S($^1$D) + H$_2$
Departamento de Qu待mica F待sica, Facultad de Qu待mica, Universidad Complutense Departamento de Qu待mica F待sica, Facultad de Qu待mica, Universidad Complutense Departamento de Qu待mica, Universidade de Coimbra,
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2011/9/1
Reaction probabilities as a function of total angular momentum (opacity functions) and the resulting reaction cross-sections for the collision of open shell S(1D) atoms with para- hydrogen have been c...