Article ID Journal Published Year Pages File Type
5393667 Computational and Theoretical Chemistry 2014 9 Pages PDF
Abstract

- Free Energy Gradient is implemented for obtaining the excited state structure of uracil in water.
- Theoretical study of the absorption and emission of uracil in aqueous environment.
- Theoretical study of the solvent effect on the Stokes shift of uracil in aqueous environment.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Combining ab initio multiconfigurational and Free Energy Gradient methods to study the π-π* excited state structure and properties of uracil in water
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