Квантово-химическое моделирование включения молекул воды и металлокомплексов в нанокавитанды семейства кукурбитурилов
Диссертация
Практическая значимость работы. Описанный в работе алгоритм изучения структурирования молекул воды в полостях СВ может быть распространен для исследования других подобных систем, используемых для конструирования соединений включения, при образовании которых важно учитывать конкурентный процесс частичного или полного замещения молекул растворителя «гостевой» частицей. Полученные результаты… Читать ещё >
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