42 citations · 156 across the 10 of their papers we have counts for
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Stone-Wales defects in nitrogen-doped C fullerenes: Insight from calculations
Konstantin Katin, Mikhail Maslov
Density functional theory is applied to study the mechanism of the Stone-Wales defect formation in pure and nitrogen-doped dodecahedral C fullerenes. The molecular structure…
Toward CL-20 crystalline covalent solids: On the dependence of energy and electronic properties on the effective size of CL-20 chains
Konstantin Katin, Mikhail Maslov
One-dimensional CL-20 chains have been constructed using CH molecular bridges for the covalent bonding between isolated CL-20 fragments. The energy and electronic properties of…
On the Vineyard Formula for the Pre-Exponential Factor in the Arrhenius Law
M. M. Maslov, L. A. Openov, A. I. Podlivaev
By the example of several typical thermally activated processes in atomic clusters, organic molecules, and nanostructures, it is shown that calculations of the corresponding pre-ex…
Thermal stability of cubane C8H8
M. M. Maslov, D. A. Lobanov, A. I. Podlivaev +1
The reasons for the anomalously high thermal stability of cubane C8H8 and the mechanisms of its decomposition are studied by numerically simulating the dynamics of this metastable…