Dynamics of bimolecular reactions in the gas phase are of foundational importance in
combustion, atmospheric chemistry, interstellar chemistry, and plasma chemistry. These …

We investigate the effects of the initial vibrational excitations on the dynamics of the OH+
C2H6→ H2O+ C2H5 reaction using the quasi-classical trajectory method and a full …

The hydrogen abstraction reaction of the cyano radical with molecules of ethane presents
some interesting points in the chemistry from ultra-cold to combustion environments …

Controlling the outcome of chemical reactions by exciting specific vibrational and/or
rotational modes of the reactants is one of the major goals of modern reaction dynamics …

We report a detailed dynamics study on the mode-specificity of the Cl+ C 2 H 6→ HCl+ C 2
H 5 H-abstraction reaction. We perform quasi-classical trajectory simulations using a …

Quasi‐classical trajectory (QCT) calculations were conducted on the newly developed full‐
dimensional potential energy surface, PES‐2023, to analyse two critical aspects: the …

Mode-specific chemistry has been a hot research topic in the field of molecular reaction
dynamics since different degrees of freedom play potentially divergent effects on the …

We perform rotational mode-specific quasi-classical trajectory simulations using a high-
quality ab initio analytical potential energy surface for the Cl (2P3/2)+ C2H6→ HCl+ C2H5 …

When elementary reactive processes occur at such low energies that only a few states of
reactants and/or products are available, quantum effects strongly manifest and the standard …

The rate coefficient for two deuterium substituted isotopologues of reaction CH3+ HBr→
CH4+ Br has been determined using the quasiclassical trajectory (QCT) method. We used …