The mechanism of double proton transfer in dimers of uracil and 2-thiouracil--the reaction force perspective
The intermolecular double proton transfer in dimers of uracil and 2-thiouracil is studied through density functional theory calculations. The reaction force framework provides the basis for characterizing the mechanism that in all cases has been associated to a dynamic balance between polarization a...
Ausführliche Beschreibung
Bibliographische Detailangaben
| Veröffentlicht in: | Journal of computational chemistry. - 1984. - 30(2009), 3 vom: 10. Feb., Seite 389-98
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| 1. Verfasser: |
Lamsabhi, Al Mokhtar
(VerfasserIn) |
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| Weitere Verfasser: |
Mó, Otilia,
Gutiérrez-Oliva, Soledad,
Pérez, Patricia,
Toro-Labbé, Alejandro,
Yáñez, Manuel |
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| Format: | Online-Aufsatz
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| Sprache: | English |
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| Veröffentlicht: |
2009
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| Zugriff auf das übergeordnete Werk: | Journal of computational chemistry
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| Schlagworte: | Journal Article
Research Support, Non-U.S. Gov't
Protons
Uracil
56HH86ZVCT
Thiouracil
59X161SCYL |
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