Energy analysis of the complex formation of aromatic molecules in an aqueous solutionстатья
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Дата последнего поиска статьи во внешних источниках: 11 апреля 2017 г.
Авторы:
Kostjukov V.V. ,
Tverdokhleb N.M. ,
Evstigneev M.P.
Журнал:
Ukrainian Journal of Physics
Том:
56
Номер:
1
Год издания:
2011
Издательство:
Naukova Dumka
Местоположение издательства:
Ukraine
Первая страница:
37
Последняя страница:
48
Аннотация:
The energetics of noncovalent interactions at the self-association of aromatic molecules with various structures and charges has been analyzed. Twelve different molecules have been examined. Amethod to compute the contributions made by various physical factors to the total Gibbs energy has been developed. The contributionsgiven by hydrogen bonds and entropic factors were foundto be always favorable, whereas the contributions made by van der Waals, electrostatic, and/or hydrophobic effects may be stabilizingor destabilizing, depending on the specific system under consideration. The issues concerning the factors that stabilize/destabilizethe stacking of aromatic molecules in the solution and their relative importance have been elucidated. © 2011.
Добавил в систему:
Евстигнеев Максим Павлович