Hypochlorite anion has been widely used as a bleaching and disinfecting agent in daily life.
Selective and sensitive identification ofOCl-ions from water is very important for researchers …

A theoretical study of the halogen‐bonded complexes formed between fluorinated dimethyl
ethers (nF= 0–4) and ClF is carried out using the wB97XD method combined with the 6 …

A theoretical study on the kinetic and thermochemistry of the reactions of CH 3 C (O) OCH 3
with Cl atoms is performed using DFT and ab initio methods. The formation of pre and post …

Detailed theoretical investigation has been performed on the mechanism, kinetics and
thermochemistry of the gas phase reactions of CF 3 CH 2 OCH 3 (HFE-263fb2) with OH …

The interaction of pyridine derivatives (H, 4-NH2, 4-CH3, 4-F, 4-CN, 4-NO2) with atomic
chlorine is investigated theoretically by the density functional theory (DFT)-based LC …

Halogen bonds have received a great deal of attention in recent years. In this work, the
interaction between fluorinated dimethyl ethers (n F= 0–4) and molecular chlorine has been …

The mechanism, kinetics, and thermochemistry of the gas-phase reactions of CF 2 ClC (O)
OCH 2 CH 3, ethyl chlorodifluoroacetate (ECDFA) with the OH radical and Cl atom are …

We theoretically investigated OH-initiated hydrogen abstraction reactions of methyl
fluoroacetate (MFA) CH2FC (O) OCH3 at the MPWB1K level of theory in conjunction with the …

Potassium ion plays an important role in a variety of bioactivities, and many functions of
potassium ion are exerted via coordination with saccharides. Up to now, the understanding …

This study describes properties of organized aromatic fluorophores present on two nano‐
dimensional cobalt complexes. Two mixed‐valent cobalt tetranuclear oxido‐bridged …