Departamento de Física
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Spectral simulations of polar diatomic molecules immersed in He clusters: application to the ICl (X) molecule
(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
(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
(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
(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
(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 ...
