Среди необычных структурных модификаций углерода, открытых в 80-х и 90-х годах
ХХ в., проявляющих принципиально новые свойства и, как теперь ясно, имеющих …

The results of studies, mainly published in recent years, on modification of carbon
nanotubes and design of composites with these nanotubes for the manufacture of new …

Density functional theory (DFT) calculations have been performed for adsorption of guanine
(a nucleobase) on the surface of Al 12 N 12 (AlN), Al 12 P 12 (AlP), B 12 N 12 (BN), and B …

Quantum chemical calculations reveal that the binding energy of the carbon nanotube (CNT)
and DNA/RNA nucleobase complexes is controlled by the curvature of the carbon nanotube …

Molecular dynamics simulations were performed to study the interaction of double-stranded
DNA segments with the surfaces of graphene and carbon nanotube arrays in aqueous …

Density-functional theory calculations are used to investigate the interaction of Al 12 N 12
and B 12 N 12 clusters with the adenine (A), uracil (U), and cytosine (C) molecules. The …

Systematic study of π··· π interactions of structurally characterized compounds containing
parallel benzene and/or pyridine rings was carried out. The gathered geometrical …

The limitations of intrinsic carbon nanotube (CNT) based devices to examine toxic gases
motivate us to investigate novel sensors which can possibly overcome sensitivity problems …

The adsorption of guanine on aluminum doped graphene was theoretically studied using
density functional theory to explore its potential application as an adsorbent for guanine. We …

In this study the adsorption of adenine molecule on the surface of pristine and Ni-decorated
graphenes was theoretically investigated using density functional theory (DFT) to …