Add to ORKGStability of recently predicted cage-like carbon cluster C$_8$ (prismane) against its transformations to structures lying at lower energies is studied theoretically. The smallest energy barrier inhibiting prismane transformation is shown to be 0.44 eV, in qualitative agreement with the value of activation energy for prismane decay calculated by molecular dynamics simulations. A rather high value of the barrier suggests the possibility of experimental observation of this cluster at ambient pressure
A novel experimental set-up was used to study superstable (magic) Ba-C-60 and K-C-60 compound cluste...
The structures and energetics of carbon bridged C60 clusters (C$_{60})_{n}$Cm have been studied by s...
Ground-state structures of supported C clusters, C (N = 16,⋯, 26), on four selected transition metal...
Results of tight-binding calculations on metastable spin-polarized carbon. clusters C-8 (prismanes) ...
The thermal stability, phases and phase changes of small carbon clusters and fullerenes are investig...
We locate putative global minima for (C-60)(N) clusters modeled by the potential of Pacheco and Pra...
We present the results of an atomic-scale simulation of the confinement of small carbon clusters ins...
We present a molecular dynamics study of the energetics and structures of very large carbon cage clu...
To improve the atomically controlled growth of graphene by chemical vapor deposition (CVD), understa...
We consider the energy accumulation in meta-stable clusters. This energy can be much larger than the...
Ground-state structures of supported C clusters, C-N (N = 16, ... , 26), on four selected transition...
We report a new class of carbon nanostructures at a lower sub-nano end of the size scale with a surp...
The structure of (C60) n clusters (n = 1– 150) was investigated by heating them to definite temperat...
We locate putative global minima for (C_60)_N clusters modelled by the potential of Pacheco and Prat...
Two different methods based on classical molecular dynamics have been developed in this thesis in or...
A novel experimental set-up was used to study superstable (magic) Ba-C-60 and K-C-60 compound cluste...
The structures and energetics of carbon bridged C60 clusters (C$_{60})_{n}$Cm have been studied by s...
Ground-state structures of supported C clusters, C (N = 16,⋯, 26), on four selected transition metal...
Results of tight-binding calculations on metastable spin-polarized carbon. clusters C-8 (prismanes) ...
The thermal stability, phases and phase changes of small carbon clusters and fullerenes are investig...
We locate putative global minima for (C-60)(N) clusters modeled by the potential of Pacheco and Pra...
We present the results of an atomic-scale simulation of the confinement of small carbon clusters ins...
We present a molecular dynamics study of the energetics and structures of very large carbon cage clu...
To improve the atomically controlled growth of graphene by chemical vapor deposition (CVD), understa...
We consider the energy accumulation in meta-stable clusters. This energy can be much larger than the...
Ground-state structures of supported C clusters, C-N (N = 16, ... , 26), on four selected transition...
We report a new class of carbon nanostructures at a lower sub-nano end of the size scale with a surp...
The structure of (C60) n clusters (n = 1– 150) was investigated by heating them to definite temperat...
We locate putative global minima for (C_60)_N clusters modelled by the potential of Pacheco and Prat...
Two different methods based on classical molecular dynamics have been developed in this thesis in or...
A novel experimental set-up was used to study superstable (magic) Ba-C-60 and K-C-60 compound cluste...
The structures and energetics of carbon bridged C60 clusters (C$_{60})_{n}$Cm have been studied by s...
Ground-state structures of supported C clusters, C (N = 16,⋯, 26), on four selected transition metal...