▪ Abstract Dynamical studies of the recombination of O and O2 to form ozone are reviewed.
The focus is the intriguing isotope dependence of the recombination rate coefficient as …

The modeling of atmospheric gas, interacting with the space vehicles in re-entry conditions
in planetary exploration missions, requires a large set of scattering data for all those …

A variant of the direct simulation Monte Carlo (DSMC) method, referred to as direct
molecular simulation (DMS), is used to study oxygen dissociation from first principles. The …

A complete set of V–T (vibration–translation) relaxation rates and of dissociation coefficients
for the system O–O2 have been obtained by using quasiclassical trajectories on the …

A set of state-specific transition rates for each rovibrational level is generated for the O 2 (X 3
Σ g−)–O 3 P system using the quasi-classical trajectory method at temperatures observed in …

This work introduces a novel methodology for the quantification of uncertainties associated
with potential energy surfaces (PESs) computed from first-principles quantum mechanical …

We present global potential energy surfaces for nine adiabatic electronic states of O 3,
namely, 1 1 A′, 2 1 A′, 1 1 A ″, 1 3 A′, 2 3 A′, 1 3 A ″, 1 5 A′, 2 5 A′, and 1 5 A …

An accurate description of the complicated shape of the potential energy surface (PES) and
that of the highly excited vibration states is of crucial importance for various unsolved issues …

This work presents an in-depth discussion on the nonequilibrium dissociation of O2
molecules colliding with O atoms, combining quasi-classical trajectory calculations, master …

This paper presents molecular dynamics calculations of vibrational energy transfer and
nonequilibrium dissociation in O 2+ O collisions. The O 2+ O interactions are modeled using …