Noble gases (Ngs) are recognized as the least reactive elements due to their fully filled
valence electronic configuration. Their reluctance to engage in chemical bond formation …

Noble gases (Ngs) are the least reactive elements in the periodic table towards chemical
bond formation when compared with other elements because of their completely filled …

Abstract The copper (I), silver (I), and gold (I) metals bind π‐ligands by σ‐bonding and π‐
back bonding interactions. These interactions were investigated using bidentate ancillary …

nitrophenol (4-NP) in industrial wastewater is harmful to both ecological environment and
human health even in the very low concentration in the environment. Catalytic …

We present a systematic study on structural, electronic, optical properties of C30 fullerene
and its six doped counterparts, C10X10Y10 (where, X= B, Al and Y= N, P, As) based on …

As a highly toxic and corrosive waste gas in the industry, hydrogen sulfide (H2S) usually
originates from the utilization of coal, petroleum, and natural gas. The selective catalytic …

A series of new cationic complexes [(PPh3) Au (L)](OTf)(L= 1, 10-phenanthroline (phen)(1);
5, 6-dimethyl-1, 10-phenanthroline (dmphen)(2); 5, 6-epoxy-5, 6-dihydro-1, 10 …

The way the bonding and reactivity of armchair carbon nanotubes depends on the curvature
of the nanotube has been investigated using density functional theory. To understand the …

Copper plays many important roles in ethylene chemistry, thus generating significant interest
in understanding the structures, bonding, and properties of copper (I)-ethylene complexes …

Thirty-seven calculation methods were benchmarked against the available experimental
bond lengths and energies data regarding the Ag–X bonds. The theoretical protocol …