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  • Spectral simulations of polar diatomic molecules immersed in He clusters: application to the ICl (X) molecule 

    Villarreal Herrán, Pablo; De Lara Castells, María Pilar; Prosmiti, Rita; Delgado Barrio, Gerardo; López Durán, David; Gianturco, Franco Antonio; Jellinek, Julius (IOP Publishing, 2007)
    A recently developed quantum-chemistry-like methodology to study molecules solvated in atomic clusters is applied to the ICl (iodine chloride) polar diatomic molecule immersed in clusters of He atoms. The atoms of the ...
  • Microsolvation of Cationic Dimers in 4He Droplets: Geometries of A2 +(He)N (A ) Li, Na, K) from Optimized Energies 

    Marinetti, Fabio; Uranga-Piña, Llinersy; Coccia, Emmanuelle; López Durán, David; Bodo, Enrico; Gianturco, Franco Antonio (ACS Publications, 2007)
    Ab initio computed interaction forces are employed to describe the microsolvation of the A2+(A = Li, Na, K) molecular ion in 4He clusters of small variable size. The minimum energy structures are obtained by performing ...
  • Ionic dopants in He droplets: cluster energies from a variational and diffusion Monte Carlo approach 

    Bodo, Enrico; Coccia, Emmanuelle; López Durán, David; Gianturco, Franco Antonio (IOP Publishing, 2007)
    We present here an implementation of a combined variational and diffusion Monte Carlo (VMC and DMC) procedure that we have recently successfully used in describing the ‘solvation’ of molecular and atomic ions in small ...
  • Doped Helium Clusters Analyzed Through Quantum Chemistry Methods 

    De Lara Castells, María Pilar; Prosmiti, Rita; López Durán, David; Delgado Barrio, Gerardo; Villarreal Herrán, Pablo; Gianturco, Franco Antonio; Jellinek, Julius (Wiley, 2007)
    A quantum-chemistry-like methodology developed recently to study molecules solvated in atomic clusters is reviewed, and the results of its application to diatomic molecules immersed in helium clusters are presented and ...
  • Analysing the performance of radiological monitoring network during nuclear accidents 

    Sangiorgi, M.; Hernández-Ceballos, M.A.; Bolivar, J.P.; Sangiorgi, M.; Hernández-Ceballos, Miguel Ángel; Bolívar, Juan Pedro (Elsevier, 2023)
    JRODOS was used to simulate the dispersion of airborne radioactive material from a point source over the period 2012–2015. In total, 1331 radioactive plumes were simulated with the objective to investigate the influence ...

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