Publications by authors named "Andrea N Pila"
Article Synopsis
- - Organic peroxides, like 3,6-dimethyl-1,2,4,5-tetroxane (DMT), have various properties including potential for antimicrobial use and explosive characteristics, which are explored through gas-phase thermolysis reaction mechanisms using DFT calculations.
- - The research examines three reaction mechanisms (S-concerted, S-stepwise, and T-stepwise), finding that the S-stepwise mechanism is the most energetically favorable, producing acetaldehyde and oxygen with lower activation energies compared to the S-concerted mechanism.
- - Notably, the study reveals that the transition from singlet to triplet state can occur at an intermediate stage, significantly impacting the reaction profile, with
