I-98 Ivanovskaya, V. V. Electronic structure of fullerenelike molecules based on TiO2, SnO2, and SnS2 / V. V. Ivanovskaya, A. N. Enyashin, A. I. Ivanovskii // Journal of Structural Chemistry. - 2004. - Vol. 45, № 1. - С. 151-155 : il. - Bibliogr. : p. 154-155 (16 ref.) Рубрики: ХИМИЧЕСКИЕ НАУКИ Кл.слова (ненормированные): ФУЛЛЕРЕНЫ -- МОДЕЛИРОВАНИЕ -- ОКСИД ТИТАНА -- ДВУОКИСЬ ОЛОВА -- НАНОТРУБКИ Аннотация: Quantum-chemical modeling of electronic structure and interatomic interaction parameters has been performed for a series of fullerenelike cage molecules based on the isoelectronic TiO2, SnO2, and SnS2. The above characteristics are analyzed in relation to the type of atomic configuration, as well as the size and chemical composition of a nanostructure Полный текст |