Energetic aspects of oxygen coordination polyhedra: Computation methods and fields of applicationстатья
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 2 апреля 2015 г.
Аннотация:The enthalpies and entropies of formation of mixed oxides from binary oxides were calculated using approximate methods. An oxygen coordination polyhedron is a fragment of a crystal structure determining the thermochemical properties of compounds. The enthalpies and entropies of change in the coordination of cations are tabulated; they are used in equations of correlation of the thermochemical and structural properties of mixed oxides.