DOI: 10.1039/d3cp03059h ISSN:
Computational analysis of the vibrational spectra and structure of aqueous cytosine
Sergey A. Katsyuba, Timur I. Burganov- Physical and Theoretical Chemistry
- General Physics and Astronomy
The inclusion of 30 explicit water molecules in the quantum chemical model of aqueous cytosine is sufficient to reproduce relative intensities and positions of the IR and Raman bands in the spectra of cytosine and cytosine-d3.