Incomplete combustion of carbon based materials produces fine, carbon rich particles.
Controlled manufacturing of very pure carbon nanoparticles (Carbon Black) can be …

A new potential energy surface for the gas-phase F (2P)+ CH4 reaction and its deuterated
analogues is reported, and its kinetics and dynamics are studied exhaustively. This …

The hydrogen abstraction reaction of fluorine with ammonia represents a true chemical
challenge because it is very fast, is followed by secondary abstraction reactions, which are …

A modified and recalibrated potential energy surface for the gas-phase Cl+ CH 4→ H Cl+
CH 3 reaction is reported and tested. It is completely symmetric with respect to the …

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

Quasiclassical trajectory calculations are employed to investigate the dynamics of collision-
induced dissociation (CID) of Cr (CO) 6+ with Xe atoms at collision energies ranging from …

Hydrocarbon pyrolysis is the main way to achieve carbonaceous materials, while most
related conversion mechanisms still remain unclear. This work images pyrolysis of methane …

This work elucidates new atomic-level mechanisms that may be common in a range of
chemical reactions, and our findings are important for the understanding of the nature of …

The collision-induced dissociation (CID) of the [Li (uracil)]+ complex with Xe is studied by
means of quasi-classical trajectory calculations. The potential energy surface is obtained “on …

An exhaustive dynamics study was performed at two collision energies, 1.52 and 2.20 eV,
analyzing the effects of the asymmetric (ν3) stretch mode excitation in the reactivity and …