Dimeric approach in description of intermolecular interactions in crystals of polyfluorinated structures
Автор: Bartashevich Ekaterina Vladimirovna, Shmanina Elena Alexandrovna
Журнал: Вестник Южно-Уральского государственного университета. Серия: Химия @vestnik-susu-chemistry
Рубрика: Физическая химия
Статья в выпуске: 31 (207), 2010 года.
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Theoretical research of intermolecular interactions with participation of atoms of fluorine for poly-fluorinated diazafluoren, enaminoindens and enaminoindans which forming molecular crystals is fulfilled. Energy of intermolecular interactions in pairs of neighbor molecules in a crystal is estimated. Correlation of interactions energy in dimers with quantum-topological characteristics of electronic density in bond critical points for F...F, F...H and O...H contacts is executed
Polyfluorinated structures, molecular crystals, intermolecular interactions, quantum-topological analyzes of electron density, теория aim, theory aim
Короткий адрес: https://sciup.org/147160174
IDR: 147160174