More than 50 years have passed since Haszeldine reported the first addition of a
trifluoromethyl radical to an allene; in the intervening years, both the chemistry of allenes …

Abstract Background The Avogadro project has developed an advanced molecule editor
and visualizer designed for cross-platform use in computational chemistry, molecular …

Fenitrothion (FNT), a common organophosphorus pesticide, has been regarded as a
contaminant because it is adverse to the environment. In this study, we chose the highly …

A highly regioselective iodosulfonylation of allenes in the presence of CuI and 1, 10-
phenanthroline has been developed for the synthesis of various useful (E)-α-iodomethyl …

The fundamental mechanism of organophosphate hydrolysis is the subject of a growing
interest resulting from the need for safe disposal of phosphoroorganic pesticides. Herein, we …

Novel acylamino-directed relay disubstitutions realize the sequential difunctionalizations of
anilides (1) under mild and metal-free conditions for the first time. This [bis (trifluoroacetoxy) …

The mechanism for the hydrolysis and aminolysis reactions of potential nerve agent tabun
have been investigated both at DFT/M062X level and at ab initio MP2 level of theory. Effect …

The mechanism for the aminolysis of a model nerve agent, O, S-dimethyl
methylphosphonothiolate, is investigated both at density functional level using M062X …

Parathion, a once commonly used pesticide known for its potential toxicity, can follow
several degradation mechanisms in the environment. Given the species stability and …

A systematic investigation of the aminolysis and hydrolysis mechanisms for
organophosphorus pesticides was performed by using the B3LYP/6–311++ G (d, p), M06 …