Sebastianelli, Paolo

PRODUCCION CIENTÍFICO TECNOLÓGICA

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Artículo Frontier molecular orbital analysis for determining the equilibrium geometries of atmospheric prenucleation complexes

Sebastianelli, Paolo; Pereyra, Rodolfo Guillermo (John Wiley & Sons Inc, 2020-02)
Artículo Homogeneous nucleation in supercooled liquid water. Determination of ice germ size and activation energy barrier in Molecular Dynamics simulations

Pereyra, Rodolfo Guillermo ; Sebastianelli, Paolo; Avila, Eldo Edgardo (Taylor & Francis Ltd, 2022-05-02)
Artículo Systematic Characterization of Gas Phase Binary Pre-Nucleation Complexes Containing H2SO4 + X, [ X = NH3, (CH3)NH2, (CH3)2NH, (CH3)3N, H2O, (CH3)OH, (CH3)2O, HF, CH3F, PH3, (CH3)PH2, (CH3)2PH, (CH3)3P, H2S, (CH3)SH, (CH3)2S, HCl, (CH3)Cl)]. A Computational Study

Sebastianelli, Paolo; Cometto, Pablo Marcelo ; Pereyra, Rodolfo Guillermo (American Chemical Society, 2018-03)

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