Rongxin Shi

Feb 29, 2024 | pubs.rsc.org | Rongxin Shi |Lin Zhang |Denghui Ma |Zexing Cao

Elucidating the Degradation Mechanism of the Nerve Agent A-234 by Various Detergents: A Theoretical Investigation A-234 (ethyl N-[1-(diethylamino)ethylidene]phosphoramidofluoridate) is one of highly toxic Novichok nerve agents, and its efficient degradation is of significant importance. The possible degradation mechanisms of A-234 by H2O, H2O2, NH3, as well as their combinations have been extensively investigated by using the density functional theory (DFT) calculations.