One-dimensional CL-20 chains have been constructed using CH 2 molecular bridges for the
covalent bonding between isolated CL-20 fragments. The energy and electronic properties …

Eight diamond-like structures (tubulanes) of different morphology based on carbon
nanotubes are studied by the combination of molecular dynamics simulation and analytical …

Diamond‐like structures, that include sp2 and sp3 hybridized carbon atoms, are of
considerable interest nowadays. In the present work, various carbon auxetic structures are …

Abstract Using the Landauer–Buttiker formalism and the nonorthogonal tight-binding
Hamiltonian with NTBM parametrization, the electron transmission and conductivity of metal …

The covalent low-dimensional nanostructures built with CL-20 units by means of CH2
molecular bridges are examined in order to investigate the possibility and probability of …

We report the prediction of metallic quasione-dimensional sp 3-hybridized silicon allotropes
in the form of prismanes. Silicon prismanes or polysilaprismanes are the silicon nanotubes …

The fullerene family, whose most popular members are the spherical C 60 and C 70
molecules, has recently added a new member, the cube-shaped carbon molecule C 8 called …

Неортогональный потенциал сильной связи дополнен дальнодействующими
слагаемыми, необходимыми для корректного описания межслоевого взаимодействия в …

The nonorthogonal tight-binding potential is augmented by long-range terms needed for a
correct description of the interlayer interaction in bilayer graphene. The molecular dynamics …

Using ab initio calculations it is found that endohedral complexes C@ Si 18 H 12, Si@ Si 18
H 12 and Ge@ Si 18 H 12 are less kinetically stable than pure [3, 6] silaprismane Si 18 H 12 …