Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5395102 | Computational and Theoretical Chemistry | 2011 | 8 Pages |
Abstract
âºWe address the role played by a different subset of nanosolvation. ⺠Patterns on the electronic properties of uracil in water at 298 K. ⺠The semi-classical simulations are based on the use of either an implicit or an explicit description of polarization. ⺠Electronic transitions are better reproduced when applying a polarizable sampling model in molecular dynamics simulations.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Costantino Zazza, Jógvan Magnus Olsen, Jacob Kongsted,