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Rotational Inelastic Scattering of H2 and O2 Molecules from Graphite

Rutigliano Maria; Pirani Fernando

Conference: OBSERVATORY FOR ASTROCHEMICAL KINETICSAND RELATED ASPECTS, pp. 69 - 74 , Roma , 27-28/06/2019 Year: 2020
ISTP Authors:
Maria Rutigliano

Keywords: , , ,
Research Activitie:

State-to-state Molecular Dynamics simulations have been performed,in a wide range of temperatures and collision energies, in conjunction with new Poten-tial Energy Surfaces formulated in terms of the Improved Lennard-Jones model. Suchsimulations have been exploited to investigate the scattering of H2(and its isotopologuemolecules, D2and HD) and O2 with graphite. Impinging molecules are considered intheir ground and excited roto-vibrational levels. Selectivity and peculiarities have beenhighlighted for the scattered molecules which are of crucial importance for the rational-ization of phenomena occurring at the gas-surface interfaces and of interest in astro-chemical kinetics

ID 438823
PRODUCT TYPE Conference Proceeding
LAST UPDATE 2023-02-06T16:14:02Z
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