Abstract
Uric acid vapor is studied with density functional theory. Using the best method from past experience for each property, we predict the equilibrium geometry, vibrational spectrum, dipole moment, static dipole polarizability, UV absorption spectrum, and vertical ionization energies of both valence and core electrons. In addition, we find that time-dependent DFT with the PBE0 functional can predict the UV absorption spectra of uric acid and its anions in aqueous solution, even with the continuum dielectric model.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
