Article ID Journal Published Year Pages File Type
5395102 Computational and Theoretical Chemistry 2011 8 Pages PDF
Abstract
►We address the role played by a different subset of nanosolvation. ► Patterns on the electronic properties of uracil in water at 298 K. ► The semi-classical simulations are based on the use of either an implicit or an explicit description of polarization. ► 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
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