Abstract
The force fields of phenylacetate (PAC) and phenylglycinate (PGLY) ions have been calculated at B3LYP/6-31+G* level of theory and improved by using Pulay's scaling methodology by directly transferring scale factors from related molecules. On this basis, a general assignment of the Raman spectra of these ions has been proposed.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have