Set of NO emissions measurements were obtained for 70/30(vol.%) NH3/H2 blend using a stagnation flame configuration. Simulation results from 68 recent ammonia-based kinetic mechanisms were compared ag
The palladium-catalyzed direct arylation of aromatic compounds with aryl halides has been proposed to involve an arylpalladium carboxylate intermediate. However, isolated arylpalladium complexes, whic
The successive reactions of [Mo(CBr)(CO)2(Tp*)] (1; Tp* = hydrotris(3,5-dimethylpyrazol-1-yl)borate) with nBuLi and N,N′-dimethylthiocarbamoyl chloride provides as intended, via formation of [Mo(CLi
ReaxFF reactive molecular dynamics has significantly advanced the exploration of chemical reaction mechanisms in complex systems. However, it faces several challenges: (1) the prevalent use of excessi
