The functionalization of boron nitride (B 12 N 12/B 16 N 16) nanoclusters with glycine in
gaseous and aqueous environments were studied. The corresponding changes of …

The structural properties and reactivities of three antitubercular drugs namely isoniazid,
pyrazinamide and 2-methylheptylisonicotinate (MHI) in gas phase have been studied using …

Density functional theory calculations have been used to investigate the adsorption of
glycine molecule on the zigzag and armchair single-walled boron-nitrogen nanotubes. The …

We report a comprehensive ab initio investigation of the conformers of dehydrogenated
glycine radicals using the STO‐3G, 3‐21G, and aug‐cc‐pVDZ (aVDZ) basis sets and the …

Following an extensive search on the potential energy surfaces (PES) of the natural amino
acid l-threonine (Thr) and its allotropic form l-allo-threonine (aThr), 56 and 61 conformers of …

A large variety of gas phase conformations of the amino acids glycine, alanine, and cysteine
is studied by numerically efficient semi‐local gradient‐corrected density functional theory …

We have investigated the adsorption of glycine on carbon nanotubes (CNTs) functionalized
by various functional groups using density functional theory calculations. Compared with the …

In this work, an electrochemical sensor was constructed by applying two successive thin
layers of glycine‐carbon nanotubes mixture and β‐cyclodextrin (CNTs‐Gly)/CD over glassy …

The electronic and optical properties are studied for three conformers of amino acid
molecules using gradient-corrected (spin-) density functional theory within a projector …

Confinement of glycine inside C 60 fullerene (gly@ C 60) is analyzed via geometrical,
energetic and deformation density of intermolecular interaction. Results show that both …