Article ID Journal Published Year Pages File Type
5381213 Chemical Physics Letters 2014 18 Pages PDF
Abstract

- We propose a theoretical model of solvatation of guanine.
- We present computed wavenumbers of isolated and aqueous guanine.
- Computed DFT wavenumbers are compared with corresponding experimental data.
- Two methods of treatment of anharmonicity are presented.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Comparison of static and dynamic methods of treatment of anharmonicity for the vibrational study of isolated and aqueous forms of guanine
Authors
, , ,