Using Solvated Density Functional Theory To Obtain NMR Spectra For Azo Dyes
Using Solvated Density Functional Theory to Obtain NMR spectra for Azo Dyes Abstract Calculations based on Solvated NMR were performed on a number of smaller molecules as well as 3 larger dyes. The calculated data is compared to experimental results and from this it is hoped that calculated NMR spectra of azo dyes can be…