Radical forms of sulfur dioxide (SO2), sulfite (SO32–), sulfate (SO42–), and their conjugate
acids are known to be generated in vivo through various chemical and biochemical …

The possibility for an Al-superoxide complex to reduce Fe (III) to Fe (II), promoting oxidative
damage through the Fenton reaction, is investigated using highly accurate ab initio methods …

Liquid structure and the closest ion–ion interactions in a series of primary alkylammonium
nitrate ionic liquids [C n Am+][NO3–](n= 2, 3, and 4) were studied by means of high-energy X …

Square‐planar nickel (II) complexes of salen ligands, N, N′‐bis (3‐tert‐butyl‐(5R)‐
salicylidene)‐1, 2‐cyclohexanediamine), in which R= tert‐butyl (1), OMe (2), and NMe2 (3) …

The neutral and one-electron oxidized Cu (II) six-membered chelate 1, 3-Salcn (1, 3-Salcn=
N, N′-bis (3, 5-di-tert-butylsalicylidene)-1, 3-cyclohexanediamine) complexes have been …

A highly selective and sensitive fluorescent Zn2+ sensor, 2, 6-bis (2-hydroxy-benzoic acid
hydrazide)-4-methylphenol (1), was designed and synthesized. In aqueous THF (4: 6 v/v) …

A mechanistic study of the tert‐aminocyclization reaction was performed by using DFT
calculations and labeling experiments. The results showed that the reaction proceeded …

Computational studies were performed to explain the highly varied stereoselectivities
obtained in the reductions of acyclic phosphine oxides and sulfides by different …

A free energy decomposition analysis algorithm for bonding and nonbonding interactions in
various solvated environments, named energy decomposition analysis–polarizable …

A new ammonia adduct of a N-heterocyclic carbene (NHC) has been isolated, which can be
used as a reagent for the synthesis of transition metal carbene complexes. It represents the …