Quantum chemical simulation of new quasi-one-dimensional crystals (lD-M8C12@(12,0)C,BN-NT) consisting of regular chains of metallocarbohedrenes (met-cars M8C12, M = Sc, Ti, V) located inside single-walled (12, 0) carbon or boron-nitrogen nanotubes were carried out in the 116-atomic cell model. Their electronic properties and chemical bonding are analyzed as a function of (i) nanotube type (carbon or BN), (ii) met-car type and (iii) mutual arrangement of met-cars and nanotubes. (C) 2002 Published by Elsevier Science B.V.