E 58 Enyashin, A. N. Titanium oxide fullerenes: electronic structure and basic trends in theirstability / A. N. Enyashin, G. Seifert // Physical Chemistry Chemical Physics. - 2007. - V. 9, № 43. - P. 5772-5775 : il. - Bibliogr. : p. 5775 (29 ref.) Рубрики: ХИМИЧЕСКИЕ НАУКИ Кл.слова (ненормированные): ОКСИД ТИТАНА -- ФУЛЛЕРЕНЫ -- СТРУКТУРА ЭЛЕКТРОННАЯ Аннотация: Stability as a function of size and electronic structure of titania fullerenes, as an example of inorganic fullerenes with octahedral coordination of metal atoms, is studied with the quantum-mechanical DFTB method Полный текст |