The studies described in this Perspective show that transition metal carbide (TMC)
nanoparticles can be very useful for the activation of three molecules located at the heart of …

Metallocarbohedrene, Ti8C12, has been synthesised in the solid state by resistive
evaporation of Ti-covered graphite electrodes in a dynamic helium atmosphere. It forms …

The electronic properties of new quasi-one-dimensional crystals consisting of regular chains
of metallocarbohedrenes Sc8C12, Ti8C12, and V8C12 (Th symmetry isomers) located …

Quantum-chemical simulation of the interaction between the Ti C metallocarbohedrene and the
CHCl3 molecule Page 1 Mendeleev Communications Electronic Version, Issue 2, 2001 (pp …

Представлен обзор современного состояния исследований по получению и
моделированию наноструктур на основе карбида титана-типичного представителя …

The electronic structures of a series of mixed metallocarbohedrenes (metcars) Ti 7 MC 12
formed as a result of replacement of the titanium atom in the Ti 8 C 12 metcar by 4 d …

The electronic states of 3 d atoms (M= Ti, Cr, Fe, and Cu) intercalated into the bulk of carbon
nanotubes (NT) or replacing the titanium atom in carbohedrene Ti 8 C 12 are studied by the …

Ab initio electron density functional method in the discrete-variational scheme was used to
perform self-consistent calculations of the electronic structure of Ti 8 C 12 Cl 2 and Ti 8 C 12 …

Structure models were proposed for Ti24C36 and Ti8C12@ Ti24C36, the higher
homologues of the titanocarbohedrene cage molecule Ti8C12, and their electronic …

Неэмпирическим самосогласованным методом дискретного варьирования изучено
электронное строение серии новых" смешанных" кубических металл-углеродных …