Complexing of cyclodextrins and their derivatives with fullerene С60
There has been investigated the impact of substituent’s nature on thermodynamic stability of “host-guest” complexes between С60 fullerene and some γ-cyclodextrin derivatives by ММ+ molecular dynamics method and PM3 semi-empirical quantum chemical method. There have been computed theoretical IR- and...
Збережено в:
| Дата: | 2007 |
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| Автори: | , , , , |
| Формат: | Стаття |
| Мова: | Російська |
| Опубліковано: |
Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine
2007
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| Онлайн доступ: | https://surfacezbir.com.ua/index.php/surface/article/view/231 |
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| Назва журналу: | Surface |
| Завантажити файл: |  |
Репозитарії
Surface| Резюме: | There has been investigated the impact of substituent’s nature on thermodynamic stability of “host-guest” complexes between С60 fullerene and some γ-cyclodextrin derivatives by ММ+ molecular dynamics method and PM3 semi-empirical quantum chemical method. There have been computed theoretical IR- and UV-spectra of the complexes. There have been found the value of stability constants as well as the values of isobar-isotherm and isochoric-isotherm potentials. |
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