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Τρίτη 11 Ιουλίου 2017

Optical Absorption and Magnetic Circular Dichroism spectra of thiouracils: a quantum mechanical study in solution

Photochem. Photobiol. Sci., 2017, Accepted Manuscript
DOI: 10.1039/C7PP00105C, Paper
Lara Martinez-Fernandez, Tobias Fahleson, Patrick Norman, Fabrizio Santoro, Sonia Coriani, Roberto Improta
The excited electronic states of 2-thiouracil, 4-thiouracil and 2,4-dithiouracil, the analogues of uracil where the carbonyl oxygens are substituted by sulphur atoms, have been investigated by computing magnetic circular dichroism...
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